2YMV
Structure of Reduced M Smegmatis 5246, a homologue of M.Tuberculosis Acg
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.2 |
| Synchrotron site | BESSY |
| Beamline | 14.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-07-28 |
| Detector | MARMOSAIC 225 mm CCD |
| Spacegroup name | P 3 2 1 |
| Unit cell lengths | 167.799, 167.799, 43.980 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 26.568 - 1.600 |
| R-factor | 0.1202 |
| Rwork | 0.119 |
| R-free | 0.14700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | SAD MODEL AT 2.4 A FROM ANOTHER DATASET |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.721 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 26.570 | 1.630 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.060 | 0.360 |
| Number of reflections | 92796 | |
| <I/σ(I)> | 9.4 | 2.5 |
| Completeness [%] | 99.4 | 100 |
| Redundancy | 2.8 | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | 0.1M IMIDAZOLE/MES PH 6.5, 30%(V/V)PEG550MME, 25 MM NA FORMATE, 25 MM AM ACETATE, 25 MM NA CITRATE, 25 MM NAK TARTRATE |
