4K6H
Crystal structure of CALB mutant L278M from Candida antarctica
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U |
Synchrotron site | SSRF |
Beamline | BL17U |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-10-09 |
Wavelength(s) | 1.000 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 47.710, 81.283, 71.556 |
Unit cell angles | 90.00, 95.83, 90.00 |
Refinement procedure
Resolution | 50.000 - 1.600 |
R-factor | 0.198 |
Rwork | 0.197 |
R-free | 0.21990 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 1.134 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.660 |
High resolution limit [Å] | 1.600 | 3.450 | 1.600 |
Rmerge | 0.084 | 0.057 | 0.346 |
Number of reflections | 70860 | ||
<I/σ(I)> | 17.5 | ||
Completeness [%] | 99.3 | 95.7 | 100 |
Redundancy | 6 | 5.7 | 6.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 287 | 25% PEG 3350,0.2M NaAc, 0.1M Tris-Bis pH6.5, vapor diffusion, hanging drop, temperature 287K |