6H1U
GlnH bound to Asp, Mycobacterium tuberculosis
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-09-25 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.9795 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 48.980, 81.880, 88.030 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.801 - 1.680 |
R-factor | 0.1737 |
Rwork | 0.172 |
R-free | 0.19780 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2v25 |
RMSD bond length | 0.007 |
RMSD bond angle | 0.848 |
Data reduction software | MOSFLM |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (dev_2722) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 59.930 | 1.710 |
High resolution limit [Å] | 1.680 | 1.680 |
Rmerge | 0.058 | |
Rmeas | 0.071 | |
Rpim | 0.029 | |
Number of reflections | 41100 | |
<I/σ(I)> | 16.3 | |
Completeness [%] | 100.0 | |
Redundancy | 5.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 298 | 0.1 M MES pH6, 0.2M MgCl2, 20% PEG 6000, 10 mM sodium aspartate |