4RLH
Crystal structure of enoyl ACP reductase from Burkholderia pseudomallei in complex with AFN-1252
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) | 1.5416 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 134.795, 63.445, 121.848 |
| Unit cell angles | 90.00, 107.08, 90.00 |
Refinement procedure
| Resolution | 36.590 - 2.260 |
| R-factor | 0.17102 |
| Rwork | 0.167 |
| R-free | 0.25017 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ek2 |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.855 |
| 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] | 50.000 | 2.330 |
| High resolution limit [Å] | 2.250 | 2.250 |
| Rmerge | 0.062 | 0.151 |
| Number of reflections | 42792 | |
| <I/σ(I)> | 11.8 | 2.7 |
| Completeness [%] | 93.1 | 89.9 |
| Redundancy | 2.7 | 2.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 293 | MES pH 5.0, 0.1 M NaCl, 10% PEG 3350, , VAPOR DIFFUSION, HANGING DROP, temperature 293K |
