Wavelength (Å) | 1.240 | 1.542 | 0.918 | 0.873 | 0.918 | 0.918 |
Space group | P212121 | P212121 | P212121 | P21 | P21 | P21 |
Unit cell parameters (Å) | a = 52.7 | a = 53.4 | a = 53.3 | a = 36.9 | a = 36.5 | a = 36.9 |
| b = 70.2 | b = 71.0 | b = 70.5 | b = 67.7 | b = 67.6 | b = 68.2 |
| c = 134.7 | c = 134.6 | c = 134.3 | c = 79.2 | c = 77.5 | c = 78.4 |
| | | | β = 102.5 | β = 102.0 | β = 102.3 |
Total reflections | 618109 | 703778 | 1104840 | 583596 | 358991 | 926807 |
Unique reflections | 22964 | 14694 | 37774 | 26222 | 14590 | 15003 |
Completeness (%)a | 97.6 (88.2) | 99.1 (99.2) | 91.0 (36.7) | 90.1 (53.6) | 90.1 (55.1) | 90.1 (51.2) |
Rmerge (%)a,b | 6.7 (26.7) | 9.3 (33.4) | 7.9 (38.8) | 7.6 (42.1) | 6.2 (23.9) | 6.7 (22.7) |
I/σa | 18.7 (3.7) | 15.1 (3.3) | 17.23 (1.2) | 16.4 (1.7) | 18.2 (2.9) | 17.1 (2.8) |
Resolution range (Å) | 30–2.30 | 30–2.70 | 30–1.95 | 30–2.00 | 30–2.40 | 30–2.40 |
f'/f″ | −0.21/4.76 | −0.58/6.83c | −8.54/3.82 | | −8.54/3.82 | −8.54/3.82 |
Phasing power (anomalous) | 1.079 | 1.206 | 0.677 | | 0.447 | 0.326 |
Phasing power (isomorphous) | 0.727 | 1.266 | | | 0.412 | 0.750 |
Figure of merit | | 0.317 | | | 0.474 | |
Beamline (ESRF/Homesource) | BM-14 | Raxis-IV | BM-14 | ID-23-2 | BM-14 | BM-14 |
No. of reflections (working/test) | 34543/1813 | | | 22583/1235 | | |
dmin (Å) | 1.95 | | | 2.0 | | |
Rwork/Rfree (%) | 19.9/22.9 | | | 19.8/23.8 | | |
Rms deviation from ideality: | | | | | | |
Bond lengths | 0.006 | | | 0.008 | | |
Bond angles | 1.03 | | | 1.032 | | |
B factors (Å2) (Rmsd of bonded atoms—main/side chain) | 2.18/3.94 | | | 2.50/4.53 | | |
Averaged B factor (Å2) | 47.05 | | | 50.79 | | |
No. of protein atoms/solvent | 2432/175 | | | 2666/162 | | |