3DAY
Crystal structure of human acyl-CoA synthetase medium-chain family member 2A (L64P mutation) in complex with AMP-CPP
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 | 2008-03-17 |
| Detector | RIGAKU RAXIS HTC |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 56.508, 97.835, 120.415 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 31.510 - 1.950 |
| R-factor | 0.16398 |
| Rwork | 0.161 |
| R-free | 0.22033 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3c5e |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.555 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.4.0066) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 32.720 | 2.060 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.089 | 0.491 |
| Number of reflections | 45963 | |
| <I/σ(I)> | 11 | 2.3 |
| Completeness [%] | 98.2 | 93.4 |
| Redundancy | 3.5 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 293 | 25% PEG 3350, 0.20M NaCl, 0.1M Bis-Tris pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
