6SJ4
Amidohydrolase, AHS with substrate analog
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-05-06 |
| Detector | DECTRIS EIGER2 X 16M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 135.320, 54.337, 139.844 |
| Unit cell angles | 90.00, 111.45, 90.00 |
Refinement procedure
| Resolution | 65.080 - 1.810 |
| R-factor | 0.1837 |
| Rwork | 0.182 |
| R-free | 0.20970 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6JS0 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.574 |
| 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] | 65.080 | 1.840 |
| High resolution limit [Å] | 1.810 | 1.810 |
| Rmerge | 0.059 | 1.087 |
| Number of reflections | 86621 | 4510 |
| <I/σ(I)> | 10.5 | 1.1 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 3.8 | 3.7 |
| CC(1/2) | 0.997 | 0.587 |
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 |
