3VWQ
6-aminohexanoate-dimer hydrolase S112A/G181D/R187A/H266N/D370Y mutant complexd with 6-aminohexanoate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2009-08-10 |
Detector | RIGAKU RAXIS VII |
Wavelength(s) | 1.5418 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 96.400, 96.400, 113.050 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 24.970 - 1.700 |
Rwork | 0.189 |
R-free | 0.20800 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.005 |
RMSD bond angle | 1.200 |
Data reduction software | d*TREK (8.0SSI) |
Data scaling software | d*TREK |
Phasing software | CNS (1.2) |
Refinement software | CNS (1.2) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 24.970 | 24.970 | 1.760 |
High resolution limit [Å] | 1.700 | 3.650 | 1.700 |
Rmerge | 0.035 | 0.020 | 0.234 |
Total number of observations | 29821 | 25330 | |
Number of reflections | 67128 | ||
<I/σ(I)> | 18.1 | 42.7 | 4.7 |
Completeness [%] | 99.5 | 99.8 | 97.7 |
Redundancy | 4.13 | 4.21 | 3.86 |
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 6.5, vapor diffusion, sitting drop, temperature 283K |