5DUC
Crystal structure of M. tuberculosis EchA6 bound to ligand GSK951A
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-10-07 |
Detector | RIGAKU SATURN 944 |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 51.340, 119.230, 171.620 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.900 - 2.704 |
R-factor | 0.1896 |
Rwork | 0.187 |
R-free | 0.23430 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3he2 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.378 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASES |
Refinement software | PHENIX (1.7.3_928) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.900 | 2.850 |
High resolution limit [Å] | 2.700 | 2.700 |
Rmerge | 0.098 | 0.359 |
Number of reflections | 29564 | |
<I/σ(I)> | 25.8 | 7.3 |
Completeness [%] | 99.6 | 97.5 |
Redundancy | 11.5 | 11.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 291 | 0.1 M sodium cacodylate, 1.0 M tri-sodium citrate, cryoprotected adding 20 % glycerol |