3A66
Crystal structure of 6-aminohexanoate-dimer hydrolase S112A/G181D/H266N/D370Y 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 | 2008-05-28 |
Detector | RIGAKU RAXIS VII |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 96.524, 96.524, 113.089 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 27.990 - 1.600 |
R-factor | 0.21 |
Rwork | 0.210 |
R-free | 0.22500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2zm0 |
RMSD bond length | 0.005 |
RMSD bond angle | 1.300 |
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] | 27.990 | 1.660 |
High resolution limit [Å] | 1.600 | 1.600 |
Rmerge | 0.054 | 0.420 |
Number of reflections | 79800 | |
<I/σ(I)> | 1.6 | |
Completeness [%] | 98.9 | 92.8 |
Redundancy | 3.23 | 2.89 |
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 |