5CP8
The effect of isoleucine to alanine mutation on InhA enzyme crystallization pattern and substrate binding loop conformation and flexibility
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-04-05 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.1 |
| Spacegroup name | P 62 2 2 |
| Unit cell lengths | 99.794, 99.794, 139.785 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 46.993 - 2.400 |
| R-factor | 0.2083 |
| Rwork | 0.206 |
| R-free | 0.26250 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.371 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 50.000 |
| High resolution limit [Å] | 2.400 |
| Number of reflections | 16637 |
| <I/σ(I)> | 28.7 |
| Completeness [%] | 99.4 |
| Redundancy | 16.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | HEPES, magnesium chloride, PEG MME 550 |
