3EZL
Crystal Structure of Acetoacetyl-CoA Reductase from Burkholderia Pseudomallei 1710b
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-09-08 |
| Detector | RIGAKU SATURN 944 |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 42 21 2 |
| Unit cell lengths | 65.370, 65.370, 120.980 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.250 |
| R-factor | 0.189 |
| Rwork | 0.186 |
| R-free | 0.24600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1i01 modified with ccp4 chainsaw |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.625 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0046) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.310 |
| High resolution limit [Å] | 2.250 | 2.250 |
| Rmerge | 0.087 | 0.448 |
| Number of reflections | 12901 | |
| <I/σ(I)> | 4.9 | |
| Completeness [%] | 98.3 | 87.2 |
| Redundancy | 12.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 290 | PROPLEX-96 A-1: 100MM HEPES PH 7.5, 20% PEG MME 2000, VAPOR DIFFUSION, SITTING DROP, temperature 290K, pH 7.50 |
