7OZM
Crystal Structure of mtbMGL K74A (Closed Cap Conformation)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1) |
Synchrotron site | PETRA III, EMBL c/o DESY |
Beamline | P13 (MX1) |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-11-25 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.0723 |
Spacegroup name | P 2 21 21 |
Unit cell lengths | 40.500, 82.240, 90.860 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.770 - 2.150 |
R-factor | 0.2005 |
Rwork | 0.195 |
R-free | 0.25000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6eic |
RMSD bond length | 0.007 |
RMSD bond angle | 0.858 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 39.770 | 2.230 |
High resolution limit [Å] | 2.150 | 2.150 |
Rmerge | 0.142 | 0.752 |
Rmeas | 0.167 | 0.889 |
Rpim | 0.086 | 0.462 |
Number of reflections | 16663 | 1655 |
<I/σ(I)> | 7.27 | 1.43 |
Completeness [%] | 97.2 | 97.93 |
Redundancy | 3.3 | 3.3 |
CC(1/2) | 0.991 | 0.578 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 15 % 2-propanol, 24 % PEG 3350, 100 mM Tris-HCl pH 8.5, 10 mg/ml protein |