2NTJ
Mycobacterium tuberculosis InhA bound with PTH-NAD adduct
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 121 |
| Detector technology | IMAGE PLATE |
| Detector | RIGAKU RAXIS |
| Wavelength(s) | 1.541 |
| Spacegroup name | I 21 21 21 |
| Unit cell lengths | 91.592, 100.521, 186.499 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.990 - 2.500 |
| R-factor | 0.21893 |
| Rwork | 0.216 |
| R-free | 0.26771 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1eny |
| RMSD bond length | 0.015 |
| RMSD bond angle | 2.139 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.590 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.154 | 0.991 |
| Number of reflections | 30035 | |
| <I/σ(I)> | 9.69 | 1.45 |
| Completeness [%] | 99.6 | 100 |
| Redundancy | 3.4 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 289 | 12% MDP, 4% DMSO, 0.1M Hepes, 0.025M Sodium Citrate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 289K |
