2WD9
CRYSTAL STRUCTURE OF HUMAN ACYL-COA SYNTHETASE MEDIUM-CHAIN FAMILY MEMBER 2A (L64P MUTATION) IN COMPLEX WITH IBUPROFEN
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2008-04-11 |
| Detector | RIGAKU RAXIS |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 98.320, 98.320, 381.440 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.920 - 2.600 |
| R-factor | 0.236 |
| Rwork | 0.235 |
| R-free | 0.25500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3b7w |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.232 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0089) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.920 | 2.670 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.190 | 0.470 |
| Number of reflections | 54507 | |
| <I/σ(I)> | 10.1 | 2.3 |
| Completeness [%] | 96.7 | 90 |
| Redundancy | 3.9 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 0.2M AM ACETATE, 0.1M TRIS PH 8.5, 25% PEG 3350 |
