6SJ0
Amidohydrolase, AHS
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-08-07 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9763 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 81.790, 82.750, 141.560 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 53.810 - 1.750 |
| R-factor | 0.183 |
| Rwork | 0.182 |
| R-free | 0.20910 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.402 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0253) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 53.810 | 1.780 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.155 | 1.648 |
| Number of reflections | 97478 | 5209 |
| <I/σ(I)> | 12.1 | 1.7 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 10.5 | 10.9 |
| CC(1/2) | 1.000 | 0.471 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | 0.2 M MgCl2, 0.1 M Bis-Tris pH 6.5 and 25% w/v polyethylene glycol 3,350 |
