8AMQ
Crystal structure of the complex CYP143-FdxE from M. tuberculosis
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID30B |
Synchrotron site | ESRF |
Beamline | ID30B |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-08-26 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.9762 |
Spacegroup name | P 1 |
Unit cell lengths | 53.200, 54.354, 69.037 |
Unit cell angles | 67.71, 77.21, 61.63 |
Refinement procedure
Resolution | 27.150 - 1.600 |
R-factor | 0.1782 |
Rwork | 0.177 |
R-free | 0.20680 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 8amp |
RMSD bond length | 0.046 |
RMSD bond angle | 1.850 |
Data reduction software | XDS |
Data scaling software | STARANISO |
Phasing software | PHASER |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 27.150 | 27.150 | 1.640 |
High resolution limit [Å] | 1.600 | 7.160 | 1.600 |
Rmeas | 0.147 | 0.080 | 3.031 |
Number of reflections | 78791 | 915 | 5469 |
<I/σ(I)> | 4.7 | 17.37 | 0.33 |
Completeness [%] | 94.8 | 97.2 | 89 |
Redundancy | 3.5 | 3.4 | 3.2 |
CC(1/2) | 0.994 | 0.989 | 0.120 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 0.01 M Nickel(II) chloride hexahydrate, 0.1 M Tris, 20% (w/v) PEG 2000MME |