2PR2
Structure of Mycobacterium tuberculosis enoyl-ACP reductase with bound INH-NADP.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU300 |
| Temperature [K] | 193 |
| Detector technology | IMAGE PLATE |
| Collection date | 2005-12-12 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 62 2 2 |
| Unit cell lengths | 99.128, 99.128, 139.274 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 41.000 - 2.500 |
| R-factor | 0.185 |
| Rwork | 0.184 |
| R-free | 0.21700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1eny |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.685 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 41.000 | 2.640 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.053 | 0.337 |
| Number of reflections | 14562 | |
| <I/σ(I)> | 36.7 | 7.5 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 11.6 | 7.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 9 | 291 | Cocrystallization with Inh-NADP at 4.8 mM 20 25% of 2-methyl-2,4-pentanediol, 100 mM Bicine pH 9.0., Vapour diffusion under oil, temperature 291K, VAPOR DIFFUSION |
