5F92
Fumarate hydratase of Mycobacterium tuberculosis in complex with formate
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 | 2014-05-26 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.969 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 180.139, 96.993, 124.129 |
| Unit cell angles | 90.00, 103.38, 90.00 |
Refinement procedure
| Resolution | 40.285 - 1.859 |
| R-factor | 0.1452 |
| Rwork | 0.143 |
| R-free | 0.18080 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.190 |
| Data reduction software | XDS |
| Data scaling software | autoPROC |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.285 | 1.865 |
| High resolution limit [Å] | 1.859 | 1.859 |
| Rmerge | 0.060 | 0.553 |
| Number of reflections | 173375 | |
| <I/σ(I)> | 13.8 | 2.1 |
| Completeness [%] | 99.4 | 99.8 |
| Redundancy | 3.4 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 17% PEG3350, 5%DMSO, 200mM MgFormate |
