6B5E
Mycobacterium tuberculosis RmlA in complex with dTDP-glucose
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-BM |
Synchrotron site | APS |
Beamline | 19-BM |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2017-06-24 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 0.9794 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 72.323, 111.264, 290.363 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 1.850 |
R-factor | 0.17358 |
Rwork | 0.171 |
R-free | 0.21758 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6b5k |
RMSD bond length | 0.013 |
RMSD bond angle | 1.655 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.920 |
High resolution limit [Å] | 1.850 | 1.850 |
Number of reflections | 195396 | 18536 |
<I/σ(I)> | 45.8 | 14.9 |
Completeness [%] | 97.7 | 93.8 |
Redundancy | 6.5 | 4.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 9 | 293 | 20% poly(ethylene glycol) 3350, 200 mM KCl, 100 mM CHES |