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 |
