9HHY
Crystal Structure of the Coxiella burnetii 2-methylisocitrate lyase Bound to Inhibitor Isocitric Acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-12-13 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.9763 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 93.785, 115.550, 195.241 |
| Unit cell angles | 90.00, 92.34, 90.00 |
Refinement procedure
| Resolution | 59.240 - 2.330 |
| R-factor | 0.21657 |
| Rwork | 0.214 |
| R-free | 0.26523 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.195 |
| Data reduction software | xia2 |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 59.240 | 2.370 |
| High resolution limit [Å] | 2.330 | 2.330 |
| Number of reflections | 177721 | 8831 |
| <I/σ(I)> | 8.29 | |
| Completeness [%] | 100.0 | |
| Redundancy | 7.04 | |
| CC(1/2) | 0.995 | 0.299 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 292 | Clear Strategy I D7: 0.3 M sodium acetate trihydrate, 0.1 M sodium cacodylate pH 6.5, 8% w/v PEG 20,000, 8% v/v PEG 500 MME |
