7P0Y
Crystal Structure of mtbMGL K74A (Substrate Analog Complex)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PETRA III, DESY BEAMLINE P11 |
Synchrotron site | PETRA III, DESY |
Beamline | P11 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-11-10 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.0332 |
Spacegroup name | P 21 2 21 |
Unit cell lengths | 74.690, 82.603, 93.780 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.780 - 2.250 |
R-factor | 0.2564 |
Rwork | 0.253 |
R-free | 0.29510 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6eic |
RMSD bond length | 0.003 |
RMSD bond angle | 0.607 |
Data reduction software | DIALS |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.780 | 2.330 |
High resolution limit [Å] | 2.250 | 2.250 |
Rmerge | 0.149 | 0.720 |
Rmeas | 0.165 | 0.802 |
Rpim | 0.071 | 0.350 |
Number of reflections | 28192 | 2766 |
<I/σ(I)> | 20.99 | 1.19 |
Completeness [%] | 99.7 | 99.5 |
Redundancy | 5.2 | 5.1 |
CC(1/2) | 0.990 | 0.770 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 30 % PEG300, 125 mM Calcium acetate, 100 mM Tris-HCl pH 8.5, 10 mg/ml protein |