6LG3
Crystal structure of a bacterial toxin from Mycobacterium tuberculosis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 95 |
| Detector technology | CCD |
| Collection date | 2016-05-10 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 26.539, 60.140, 28.121 |
| Unit cell angles | 90.00, 107.85, 90.00 |
Refinement procedure
| Resolution | 19.342 - 1.901 |
| R-factor | 0.208353516868 |
| Rwork | 0.205 |
| R-free | 0.24372 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2n9v |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.677 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.350 | 1.969 |
| High resolution limit [Å] | 1.900 | 1.901 |
| Rmerge | 0.143 | 0.213 |
| Number of reflections | 12018 | 634 |
| <I/σ(I)> | 5.71 | 2.37 |
| Completeness [%] | 99.0 | |
| Redundancy | 1.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | 6% v/v Tacsimate pH 6.0, 0.1M MES monohydrate pH 6.0, 25% w/v Polyethylene glycol 4000 |
