3AUK
Crystal structure of a lipase from Geobacillus sp. SBS-4S
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL38B1 |
Synchrotron site | SPring-8 |
Beamline | BL38B1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-04-08 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 55.131, 71.745, 126.262 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 27.150 - 1.660 |
R-factor | 0.16371 |
Rwork | 0.162 |
R-free | 0.19031 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1KUO |
RMSD bond length | 0.007 |
RMSD bond angle | 0.981 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.690 |
High resolution limit [Å] | 1.660 | 1.660 |
Rmerge | 0.063 | 0.472 |
Number of reflections | 59613 | |
<I/σ(I)> | 23.2 | 2.7 |
Completeness [%] | 99.3 | 99.9 |
Redundancy | 4.9 | 4.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | 0.1M imidazole pH 8.0, 10% PEG 8000, 0.2M Ca-acetate, VAPOR DIFFUSION, SITTING DROP, temperature 293K |