3GUU
X-ray structure of Candida Antarctica lipase A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-2 |
| Synchrotron site | ESRF |
| Beamline | ID14-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-12-03 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.93300 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 92.100, 92.100, 300.400 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.920 - 2.100 |
| R-factor | 0.19136 |
| Rwork | 0.189 |
| R-free | 0.23365 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2veo |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.713 |
| Data reduction software | INTEGRATE |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.3.0040) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.300 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.174 | 0.433 |
| Number of reflections | 86764 | |
| <I/σ(I)> | 9.64 | 4.42 |
| Completeness [%] | 98.2 | 96.4 |
| Redundancy | 6.5 | 6.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 294 | 1.5M Ammonium sulfate, 12% glycerol, 100mM TRIS-HCl pH 8.5 , VAPOR DIFFUSION, HANGING DROP, temperature 294.0K |
