9EXM
Cryogenic APO structures of soluble epoxide hydrolase
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 | 2018-06-25 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9686 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 93.156, 93.156, 246.213 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 80.670 - 1.640 |
| R-factor | 0.1971 |
| Rwork | 0.195 |
| R-free | 0.22910 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.980 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.8) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 80.670 | 1.760 |
| High resolution limit [Å] | 1.640 | 1.670 |
| Rmerge | 0.102 | 7.510 |
| Number of reflections | 70343 | 527 |
| <I/σ(I)> | 5 | 0.1 |
| Completeness [%] | 95.6 | 89.9 |
| Redundancy | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | 32-38% PEG 3350, 0.1 M LiSO4, 0.1 M Tris pH 8.5. |
