7O1L
Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme alpha-H462A mutant
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04-1 |
Synchrotron site | Diamond |
Beamline | I04-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-02-23 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.9795 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 100.753, 207.633, 134.132 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 90.640 - 2.380 |
R-factor | 0.231 |
Rwork | 0.229 |
R-free | 0.26900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4b3h |
RMSD bond length | 0.002 |
RMSD bond angle | 0.450 |
Data reduction software | xia2 |
Data scaling software | DIALS |
Phasing software | PHASER |
Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 90.640 | 2.420 |
High resolution limit [Å] | 2.380 | 2.380 |
Number of reflections | 56669 | 4537 |
<I/σ(I)> | 7.8 | |
Completeness [%] | 99.9 | |
Redundancy | 8 | |
CC(1/2) | 0.996 | 0.777 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 6.5 | 295 | 2 M Ammonium Sulfate, 0.1M MOPS pH 6.5 |