5XNX
Crystallographic structure of the enzymatically active N-terminal domain of the Rel protein from Mycobacterium tuberculosis
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSRRC BEAMLINE BL13B1 |
Synchrotron site | NSRRC |
Beamline | BL13B1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2017-03-07 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1 |
Spacegroup name | P 32 |
Unit cell lengths | 161.710, 161.710, 75.560 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 10.020 - 3.700 |
R-factor | 0.35105 |
Rwork | 0.350 |
R-free | 0.36765 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1vj7 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.162 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 3.830 |
High resolution limit [Å] | 3.700 | 3.700 |
Rmerge | 0.050 | 0.243 |
Number of reflections | 23372 | |
<I/σ(I)> | 15.6 | 3.9 |
Completeness [%] | 99.2 | 99.7 |
Redundancy | 11.1 | 3.2 |
CC(1/2) | 0.987 | 0.962 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 291 | 0.8M succinic acid, pH 7.0, 0.2M MgCl2, 0.2-0.4M Trimethylamin-N-oxide, 20% w/v Benzamidine hydrochloride hydrate |