xia2 processing report

Merging statistics

Space group: P 21 21 21 (No. 19)
Unit cell: (77.1666, 90.9254, 147.205, 90, 90, 90)

Overall

NATIVE
Wavelength (Å) 0.97949
Resolution range (Å) 39.17 - 2.30 (2.34 - 2.30)
Completeness (%) 100.00 (100.00)
Multiplicity 13.15 (12.43)
CC-half 0.9995 (0.4041)
I/sigma 18.98 (0.55)
Rmerge(I) 0.0742 (2.4217)
Anomalous completeness (%) 99.96 (99.72)
Anomalous multiplicity 6.93 (6.46)

References

xia2 output files

Reflection data files

Log files

Detailed statistics for dataset NATIVE

Overall

Overall Low resolution High resolution
Resolution (Å) 39.17 - 2.30 39.18 - 6.23 2.34 - 2.30
Observations 616261 29540 29068
Unique reflections 46847 2556 2338
Multiplicity 13.2 11.6 12.4
Completeness 100.00% 100.00% 100.00%
Mean I/σ(I) 19.0 75.3 0.6
Rmerge 0.074 0.030 2.422
Rmeas 0.077 0.031 2.526
Rpim 0.021 0.009 0.708
CC½ 1.000 1.000 0.404

Resolution shells

Resolution (Å) N(obs) N(unique) Multiplicity Completeness Mean I Mean I/σ(I) Rmerge Rmeas Rpim Ranom CC½ CCano
39.18 - 6.23 29540 2556 11.56 100.00 495.1 75.3 0.030 0.031 0.009 0.016 1.000* -0.171
6.23 - 4.95 30432 2410 12.63 100.00 188.7 59.0 0.038 0.040 0.011 0.020 0.999* -0.112
4.95 - 4.33 30020 2377 12.63 100.00 249.9 61.4 0.038 0.039 0.011 0.019 0.999* -0.155
4.33 - 3.93 32141 2371 13.56 100.00 186.7 50.6 0.048 0.050 0.013 0.024 0.999* -0.145
3.93 - 3.65 30217 2349 12.86 100.00 121.9 35.9 0.062 0.065 0.018 0.032 0.999* -0.041
3.65 - 3.43 32029 2360 13.57 100.00 79.6 25.6 0.085 0.088 0.024 0.044 0.998* -0.083
3.43 - 3.26 29898 2323 12.87 100.00 50.4 17.7 0.111 0.115 0.032 0.061 0.996* -0.142
3.26 - 3.12 31091 2337 13.30 100.00 29.0 11.4 0.161 0.168 0.046 0.087 0.994* 0.022
3.12 - 3.00 32047 2339 13.70 100.00 20.4 8.5 0.210 0.218 0.058 0.111 0.991* -0.047
3.00 - 2.90 31874 2309 13.80 100.00 14.3 6.2 0.275 0.286 0.076 0.143 0.982* -0.058
2.90 - 2.81 29794 2337 12.75 100.00 10.8 4.6 0.350 0.365 0.101 0.190 0.969* -0.068
2.81 - 2.73 30953 2307 13.42 100.00 7.8 3.4 0.465 0.484 0.131 0.257 0.960* 0.006
2.73 - 2.65 31550 2316 13.62 100.00 5.6 2.4 0.624 0.649 0.175 0.352 0.929* 0.034
2.65 - 2.59 29686 2308 12.86 100.00 4.5 1.9 0.759 0.790 0.218 0.425 0.879* -0.037
2.59 - 2.53 30435 2313 13.16 100.00 3.5 1.5 0.965 1.004 0.274 0.523 0.825* 0.008
2.53 - 2.48 31256 2318 13.48 100.00 2.9 1.3 1.160 1.206 0.326 0.604 0.783* -0.001
2.48 - 2.43 31352 2303 13.61 100.00 2.5 1.1 1.356 1.409 0.380 0.697 0.728* -0.032
2.43 - 2.38 32034 2333 13.73 100.00 2.0 0.8 1.727 1.793 0.481 0.858 0.633* 0.011
2.38 - 2.34 30844 2243 13.75 100.00 1.6 0.6 2.197 2.282 0.612 0.976 0.516* -0.005
2.34 - 2.30 29068 2338 12.43 100.00 1.4 0.6 2.422 2.526 0.708 1.154 0.404* 0.021
*significant at p=0.01

Xtriage

9 checks passed

Zwart, P. H., Grosse-Kunstleve, R. W. & Adams, P. D. (2005). CCP4 Newsl. 43, contribution 7.

Analysis plots

Analysis by resolution

Analysis by batch

Miscellaneous