3A65
Crystal structure of 6-aminohexanoate-dimer hydrolase S112A/G181D/H266N mutant with substrate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2008-03-07 |
Detector | RIGAKU RAXIS VII |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 96.414, 96.414, 112.869 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 31.560 - 1.700 |
R-factor | 0.18 |
Rwork | 0.180 |
R-free | 0.20100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1wyc |
RMSD bond length | 0.005 |
RMSD bond angle | 1.200 |
Data reduction software | d*TREK |
Data scaling software | d*TREK |
Phasing software | CNS (1.2) |
Refinement software | CNS (1.2) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 31.560 | 1.760 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.038 | 0.325 |
Number of reflections | 65321 | |
<I/σ(I)> | 2.2 | |
Completeness [%] | 96.6 | 76.2 |
Redundancy | 3.33 | 2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 283 | 2.2M AMMONIUM SULFATE, 0.2M LITHIUM SULFATE, 0.1M MES, PH 6.50, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 283K |