6H20
GlnH bound to Asn, 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 PILATUS 6M-F |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 48.328, 81.298, 88.509 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 42.417 - 1.400 |
| R-factor | 0.1911 |
| Rwork | 0.191 |
| R-free | 0.20100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6h1u |
| RMSD bond length | 0.006 |
| 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] | 59.870 | 1.420 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rmerge | 0.051 | |
| Rmeas | 0.062 | |
| Rpim | 0.025 | |
| Number of reflections | 69388 | 20305 |
| <I/σ(I)> | 13.7 | |
| Completeness [%] | 99.8 | |
| Redundancy | 5.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 0.1 M MES pH6, 0.2 M MgCl2, 20% PEG 6000, 10 mM asparagine |
