5AGV
The sliding clamp of Mycobacterium tuberculosis in complex with a natural product.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-09-24 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 72.869, 89.764, 81.928 |
| Unit cell angles | 90.00, 95.14, 90.00 |
Refinement procedure
| Resolution | 40.800 - 1.930 |
| R-factor | 0.1708 |
| Rwork | 0.169 |
| R-free | 0.20950 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | WWPDB ENTRY 3P16 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.128 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER (via) |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.800 | 1.940 |
| High resolution limit [Å] | 1.930 | 1.930 |
| Rmerge | 0.100 | 0.820 |
| Number of reflections | 79001 | |
| <I/σ(I)> | 13.7 | 2.2 |
| Completeness [%] | 100.0 | 99.9 |
| Redundancy | 6.8 | 6.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 333 MM CACL2, 144 MM LITHIUM ACETATE, 11.7 % (W/V) PEG 8000, 100 MM HEPES-NAOH PH 7.58 |
