7LHU
Crystal structure of adenosine-5'-phosphosulfate reductase from Mycobacterium tuberculosis in a complex with product AMP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-C |
Synchrotron site | APS |
Beamline | 24-ID-C |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-04-07 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.9792 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 77.700, 77.700, 206.363 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.500 - 3.090 |
R-factor | 0.2312 |
Rwork | 0.230 |
R-free | 0.26170 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7lhr |
RMSD bond length | 0.002 |
RMSD bond angle | 0.518 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 3.150 |
High resolution limit [Å] | 3.090 | 3.100 |
Number of reflections | 12260 | 592 |
<I/σ(I)> | 36 | 1 |
Completeness [%] | 99.9 | |
Redundancy | 19.2 | |
CC(1/2) | 1.000 | 0.525 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 293 | MES, PEG 20000 |