4JX8
Crystal Structure of E.coli Enoyl Reductase in Complex with NAD and AEA16
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU300 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 79.632, 79.632, 323.352 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 29.240 - 3.200 |
| R-factor | 0.21241 |
| Rwork | 0.206 |
| R-free | 0.32631 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1qsg |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.911 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 3.310 |
| High resolution limit [Å] | 3.200 | 3.200 |
| Rmerge | 0.092 | 0.137 |
| Number of reflections | 8204 | |
| <I/σ(I)> | 37.5 | 4.5 |
| Completeness [%] | 81.3 | 84.6 |
| Redundancy | 6.6 | 5.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 277 | 0.1M Sodium acetate pH 4.6, 10%-15% (w/v) PEG 4000, 200mM Ammonium acetate, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
