8J1K
co-crystal structure of non-carboxylic acid inhibitor with PHD2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CLSI BEAMLINE 08ID-1 |
| Synchrotron site | CLSI |
| Beamline | 08ID-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-12-03 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 1.18057 |
| Spacegroup name | P 63 |
| Unit cell lengths | 80.843, 80.843, 63.899 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 47.200 - 2.451 |
| Rwork | 0.242 |
| R-free | 0.30840 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.756 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0352) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.200 | 2.550 |
| High resolution limit [Å] | 2.450 | 2.450 |
| Rmerge | 0.068 | 1.050 |
| Number of reflections | 8837 | 966 |
| <I/σ(I)> | 27.6 | |
| Completeness [%] | 100.0 | |
| Redundancy | 19.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.2M NH4 phosphate monobasic,0.1M Tris,8.5,50% MPD |
