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 |
