7O4U
Structure of the alpha subunit of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme in complex with oxidized nicotinamide adenine dinucleotide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-02-29 |
Detector | DECTRIS EIGER2 XE 16M |
Wavelength(s) | 0.9762 |
Spacegroup name | P 1 |
Unit cell lengths | 49.812, 86.913, 88.957 |
Unit cell angles | 88.02, 89.92, 75.19 |
Refinement procedure
Resolution | 88.900 - 2.700 |
R-factor | 0.2157 |
Rwork | 0.213 |
R-free | 0.26990 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4b3h |
RMSD bond length | 0.002 |
RMSD bond angle | 0.464 |
Data reduction software | xia2 |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 88.900 | 2.820 |
High resolution limit [Å] | 2.700 | 2.700 |
Number of reflections | 38685 | 4735 |
<I/σ(I)> | 7.7 | |
Completeness [%] | 97.6 | |
Redundancy | 3.1 | |
CC(1/2) | 0.988 | 0.867 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7.5 | 295 | 22% PEG 4000, 0.1 M TEA pH 7.5, 20% IPA |