6A2S
Mycobacterium tuberculosis LexA C-domain S160A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-03-13 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.9762 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 57.610, 104.200, 88.100 |
| Unit cell angles | 90.00, 104.08, 90.00 |
Refinement procedure
| Resolution | 66.160 - 2.500 |
| R-factor | 0.24389 |
| Rwork | 0.241 |
| R-free | 0.29003 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | IUMU |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.557 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0222) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 66.160 | 2.640 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.135 | 1.119 |
| Rpim | 0.053 | 0.437 |
| Number of reflections | 35018 | 5104 |
| <I/σ(I)> | 11.9 | |
| Completeness [%] | 100.0 | |
| Redundancy | 7.5 | |
| CC(1/2) | 0.998 | 0.754 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 6.5 | 298 | 100mM Bis-Tris, 200mM megnesium chloride, 25% PEG 3350 |
