6R1B
Crystal structure of UgpB from Mycobacterium tuberculosis in complex with glycerophosphocholine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04-1 |
Synchrotron site | Diamond |
Beamline | I04-1 |
Temperature [K] | 80 |
Detector technology | PIXEL |
Collection date | 2017-12-04 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.92 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 46.110, 169.860, 213.310 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.687 - 2.270 |
R-factor | 0.208701378794 |
Rwork | 0.206 |
R-free | 0.25598 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4mfi |
RMSD bond length | 0.006 |
RMSD bond angle | 0.663 |
Data reduction software | XDS (0.0.5) |
Data scaling software | XDS (0.0.5) |
Phasing software | PHASER (1.12_2829) |
Refinement software | PHENIX (1.12_2829) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 38.690 | 2.330 |
High resolution limit [Å] | 2.270 | 2.270 |
Number of reflections | 78213 | |
<I/σ(I)> | 10.3 | |
Completeness [%] | 99.2 | |
Redundancy | 7.8 | |
CC(1/2) | 0.997 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 295.15 | 0.2 M MgCl2, 0.1 M Tris pH 8.5, 20% PEG 8,000, 10 mM Glycerol-3-phosphocholine |