5X7F
Structure of a O-methyltransferase from Mycobacterium tuberculosis at 2.0 resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-05-14 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.97923 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 57.700, 57.700, 158.163 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 32.617 - 1.997 |
| R-factor | 0.1934 |
| Rwork | 0.192 |
| R-free | 0.21570 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3tr6 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.975 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.11.1_2575: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 32.620 | |
| High resolution limit [Å] | 2.000 | |
| Rmerge | 0.126 | 0.537 |
| Number of reflections | 18716 | |
| <I/σ(I)> | 14.2 | 4.4 |
| Completeness [%] | 99.1 | 100 |
| Redundancy | 13.4 | 13.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 295 | 1.0M (NH4)2SO4, 0.1M HEPES pH 7.0, 0.5 % w/v polyethylene glycol 8000 |
