4DTI
Mycobacterium tuberculosis InhA-S94A mutant in complex with NADH
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06DA |
Synchrotron site | SLS |
Beamline | X06DA |
Temperature [K] | 110 |
Detector technology | CCD |
Collection date | 2011-08-17 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1 |
Spacegroup name | P 62 2 2 |
Unit cell lengths | 97.986, 97.986, 139.605 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 48.990 - 1.900 |
R-factor | 0.19256 |
Rwork | 0.191 |
R-free | 0.21232 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4dqu |
RMSD bond length | 0.009 |
RMSD bond angle | 1.547 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 50.000 |
High resolution limit [Å] | 1.900 |
<I/σ(I)> | 19.6 |
Completeness [%] | 90.0 |
Redundancy | 6.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7.5 | 291 | 8% (v/v) MPD, 50mM Sodium Citrate, pH 6.5 and 0.1 M Hepes, VAPOR DIFFUSION, temperature 291K |