5DTW
Crystal structure of M. tuberculosis EchA6 bound to C20-CoA
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 | 2013-02-02 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9763 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 113.603, 51.275, 156.825 |
Unit cell angles | 90.00, 106.80, 90.00 |
Refinement procedure
Resolution | 42.848 - 2.439 |
R-factor | 0.2245 |
Rwork | 0.222 |
R-free | 0.27490 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3he2 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.202 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.7.3_928) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 108.900 | 2.460 |
High resolution limit [Å] | 2.400 | 2.400 |
Rmerge | 0.084 | 0.499 |
Number of reflections | 68420 | |
<I/σ(I)> | 9.6 | 2.1 |
Completeness [%] | 99.4 | 99.5 |
Redundancy | 3.6 | 3.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291 | 0.17 M ammonium sulfate, 25.5 % w/v PEG 4000, 15 % v/v glycerol |