3EQ6
Crystal structure of human acyl-CoA synthetase medium-chain family member 2A (L64P mutation) in a ternary complex with products
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E SUPERBRIGHT |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2008-07-04 |
| Detector | RIGAKU RAXIS HTC |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 57.028, 98.041, 116.660 |
| Unit cell angles | 90.00, 94.12, 90.00 |
Refinement procedure
| Resolution | 21.730 - 2.400 |
| R-factor | 0.18928 |
| Rwork | 0.187 |
| R-free | 0.23638 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3b7w |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.576 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0055) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 24.990 | 2.530 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.107 | 0.494 |
| Number of reflections | 47300 | |
| <I/σ(I)> | 8 | 2.2 |
| Completeness [%] | 99.3 | 98 |
| Redundancy | 3.3 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 0.1M Mg(form), 15% PEG3350, pH7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
