2ZYI
A. Fulgidus lipase with fatty acid fragment and calcium
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL12B2 |
Synchrotron site | SPring-8 |
Beamline | BL12B2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-06-23 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 1 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 89.445, 105.375, 117.002 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.000 - 2.300 |
Rwork | 0.182 |
R-free | 0.23800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2zyh |
RMSD bond length | 0.017 |
RMSD bond angle | 1.800 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.380 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.060 | 0.272 |
Number of reflections | 50018 | |
<I/σ(I)> | 37 | 8.1 |
Completeness [%] | 98.6 | 97.6 |
Redundancy | 5.5 | 5.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 298 | 0.2M CaCl2, 0.1M Sodium acetate (pH 4.6), 10% isopropanol, VAPOR DIFFUSION, HANGING DROP, temperature 298K |