6J1S
Crystal structure of Candida Antarctica Lipase B mutant - SS
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL19U1 |
Synchrotron site | SSRF |
Beamline | BL19U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-06-16 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.97775 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 46.998, 80.417, 73.167 |
Unit cell angles | 90.00, 98.47, 90.00 |
Refinement procedure
Resolution | 40.208 - 1.830 |
R-factor | 0.1896 |
Rwork | 0.188 |
R-free | 0.21940 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1tca |
RMSD bond length | 0.010 |
RMSD bond angle | 1.140 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | PHENIX |
Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.830 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.081 | 0.289 |
Number of reflections | 50449 | 2274 |
<I/σ(I)> | 17.682 | 5.24 |
Completeness [%] | 99.0 | |
Redundancy | 6.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 289 | 0.2 M ammonium sulfate 0.1 M sodium citrate pH 5.5 25% PEG 4000 |