6SJ1
Amidohydrolase, AHS
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-07-27 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 1.2818 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 135.610, 54.510, 141.540 |
| Unit cell angles | 90.00, 111.87, 90.00 |
Refinement procedure
| Resolution | 67.360 - 2.060 |
| R-factor | 0.1833 |
| Rwork | 0.181 |
| R-free | 0.21880 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6sj0 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.399 |
| 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] | 67.360 | 2.100 |
| High resolution limit [Å] | 2.060 | 2.060 |
| Rmerge | 0.178 | 1.370 |
| Number of reflections | 59518 | 3123 |
| <I/σ(I)> | 11.6 | 2.1 |
| Completeness [%] | 99.5 | 96.5 |
| Redundancy | 12.4 | 10.3 |
| CC(1/2) | 0.997 | 0.494 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | 0.05 M MgCl2, 0.1 M HEPES pH 7.5 and 30% v/v polyethylene glycol monomethyl ether 550 |
