2IDZ
Crystal structure of wild type Enoyl-ACP(CoA) reductase from Mycobacterium tuberculosis in complex with NADH-INH
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | LNLS BEAMLINE D03B-MX1 |
| Synchrotron site | LNLS |
| Beamline | D03B-MX1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-03-22 |
| Detector | MAR CCD 130 mm |
| Wavelength(s) | 1.427 |
| Spacegroup name | P 62 2 2 |
| Unit cell lengths | 97.093, 97.093, 136.939 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 40.190 - 2.000 |
| R-factor | 0.1898 |
| Rwork | 0.188 |
| R-free | 0.22600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1zid |
| RMSD bond length | 0.021 |
| RMSD bond angle | 1.955 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.193 | 2.110 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.098 | 0.830 |
| Number of reflections | 26409 | |
| <I/σ(I)> | 5.2 | 2.3 |
| Completeness [%] | 96.1 | 100 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.2 | 293 | 0.05M SODIUM CITRATE, 0.05M HEPES, 8-15% 2-METHYL-2-4-PENTANEDIOL (MPD), PH 7.2, TEMPERATURE 293K , VAPOR DIFFUSION, HANGING DROP |
