1BVR
M.TB. ENOYL-ACP REDUCTASE (INHA) IN COMPLEX WITH NAD+ AND C16-FATTY-ACYL-SUBSTRATE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 287 |
| Detector technology | IMAGE PLATE |
| Collection date | 1997-11-15 |
| Detector | MACSCIENCE |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 101.080, 83.450, 192.810 |
| Unit cell angles | 90.00, 95.24, 90.00 |
Refinement procedure
| Resolution | 10.000 - 2.800 |
| R-factor | 0.217 |
| Rwork | 0.217 |
| R-free | 0.34400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1eny |
| RMSD bond length | 0.014 |
| RMSD bond angle | 2.000 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | X-PLOR |
| Refinement software | X-PLOR |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 10.000 | 2.900 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.162 * | 0.255 * |
| Number of reflections | 35800 * | 3029 * |
| <I/σ(I)> | 7.6 | 3.5 |
| Completeness [%] | 93.0 | 79.3 * |
| Redundancy | 2.5 | 1.0 * |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 6.8 | 10% PEG-4000, 6% DMSO, 100 MM AMMONIUM ACETATE, AND 100 MM ADA, PH 6.8 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | PEG4000 | 10 (%) | |
| 2 | 1 | reservoir | 6 (%) | ||
| 3 | 1 | reservoir | ammonium acetate | 100 (mM) | |
| 4 | 1 | reservoir | ADA | 100 (mM) | |
| 5 | 1 | drop | protain | 10 (mg/ml) |
