5AGU
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 61 |
| Unit cell lengths | 87.516, 87.516, 199.296 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 70.841 - 2.173 |
| R-factor | 0.1861 |
| Rwork | 0.184 |
| R-free | 0.22670 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3p16 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.267 |
| 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] | 199.300 | 2.180 |
| High resolution limit [Å] | 2.170 | 2.170 |
| Rmerge | 0.200 | 1.500 |
| Number of reflections | 45449 | |
| <I/σ(I)> | 13.2 | 2.1 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 20.8 | 20.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 21.2 % (W/V) PEG 3000, 100 MM TRIS-HCL PH 7.67. |
