2AQ8
Crystal structure of wild-type of Enoyl-ACP(CoA) reductase from Mycobacterium tuberculosis in complex with NADH.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | LNLS BEAMLINE D03B-MX1 |
Synchrotron site | LNLS |
Beamline | D03B-MX1 |
Temperature [K] | 104 |
Detector technology | CCD |
Collection date | 2003-09-09 |
Detector | MARRESEARCH |
Wavelength(s) | 1.431 |
Spacegroup name | P 62 2 2 |
Unit cell lengths | 96.022, 96.022, 138.164 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 33.240 - 1.920 |
R-factor | 0.18876 |
Rwork | 0.187 |
R-free | 0.21280 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1eny |
RMSD bond length | 0.015 |
RMSD bond angle | 1.750 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | AMoRE |
Refinement software | REFMAC (5.2.0003) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 39.840 | 2.030 |
High resolution limit [Å] | 1.920 | 1.920 |
Number of reflections | 26972 | |
Completeness [%] | 97.7 | 94.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.2 | 293 | 0.05 M Sodium citrate, 0.05 M Hepes, 8-15% 2-Methyl-2-4-pentanediol (MPD), pH 7.2, VAPOR DIFFUSION, HANGING DROP, temperature 293K |