6SJ2
Amidohydrolase, AHS with 3-HAA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-01-20 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9159 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 99.810, 118.890, 83.320 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 56.330 - 1.250 |
| R-factor | 0.1651 |
| Rwork | 0.165 |
| R-free | 0.17800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.439 |
| 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] | 56.330 | 1.270 |
| High resolution limit [Å] | 1.250 | 1.250 |
| Rmerge | 0.078 | 1.574 |
| Number of reflections | 266362 | 14240 |
| <I/σ(I)> | 12.3 | 1 |
| Completeness [%] | 97.7 | 95 |
| Redundancy | 7 | 5.5 |
| CC(1/2) | 0.999 | 0.480 |
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 |
