4K6G
Crystal structure of CALB 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 | 47.699, 81.642, 71.652 |
| Unit cell angles | 90.00, 95.87, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.500 |
| R-factor | 0.1906 |
| Rwork | 0.190 |
| R-free | 0.20310 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.091 |
| 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 | 1.550 |
| High resolution limit [Å] | 1.500 | 3.230 | 1.500 |
| Rmerge | 0.097 | 0.083 | 0.189 |
| Number of reflections | 171636 | ||
| <I/σ(I)> | 18.4 | ||
| Completeness [%] | 99.9 | 99.4 | 100 |
| Redundancy | 3.8 | 3.7 | 3.7 |
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 |
