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 |