6SJ3
Amidohydrolase, AHS with 3-HBA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-04-12 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9688 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 99.294, 117.339, 83.038 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 83.180 - 1.170 |
| R-factor | 0.137 |
| Rwork | 0.136 |
| R-free | 0.15620 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6sj0 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.498 |
| Data reduction software | DIALS |
| Data scaling software | xia2 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0253) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 117.340 | 1.190 |
| High resolution limit [Å] | 1.170 | 1.170 |
| Rmerge | 0.105 | 1.131 |
| Number of reflections | 306139 | 16992 |
| <I/σ(I)> | 8.1 | 1.1 |
| Completeness [%] | 94.4 | 64.7 |
| Redundancy | 6.6 | 3.9 |
| CC(1/2) | 0.996 | 0.508 |
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 |
