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 |