2XW7
Structure of Mycobacterium smegmatis putative reductase MS0308
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-09-27 |
| Detector | ADSC CCD |
| Spacegroup name | P 63 2 2 |
| Unit cell lengths | 69.280, 69.280, 262.712 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 49.490 - 2.000 |
| R-factor | 0.1681 |
| Rwork | 0.166 |
| R-free | 0.21566 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB ENTRIES 3JTW 3KY8 AS ENSEMBLE |
| RMSD bond length | 0.024 |
| RMSD bond angle | 2.114 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER (MRBUMP) |
| Refinement software | REFMAC (5.6.0077) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 54.600 | 2.110 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.100 | 0.430 |
| Number of reflections | 26427 | |
| <I/σ(I)> | 22 | 6.4 |
| Completeness [%] | 100.0 | 99.9 |
| Redundancy | 19.2 | 16.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 4.75 | 0.1M BISTRIS PH 4.75, 0.1M C3H5O2NA, 0.1M CACODYLATE, 32% PEG 1550. |
