4APA
Crystal structure of Mycobacterium tuberculosis fumarase (Rv1098c) S318A in apo form
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 1 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-03-18 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 268.270, 97.142, 96.436 |
| Unit cell angles | 90.00, 104.54, 90.00 |
Refinement procedure
| Resolution | 43.410 - 2.040 |
| R-factor | 0.1661 |
| Rwork | 0.165 |
| R-free | 0.17910 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4adl |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.970 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | BUSTER (2.11.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.410 | 2.160 |
| High resolution limit [Å] | 2.040 | 2.040 |
| Rmerge | 0.080 | 0.480 |
| Number of reflections | 148043 | |
| <I/σ(I)> | 13.1 | 2.3 |
| Completeness [%] | 97.9 | 86.8 |
| Redundancy | 4.2 | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8 | 20% PEG 8000, 0.2 M CACL2, 0.1 M TRIS-HCL PH 8.0 |
