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 |