2ZYH
mutant A. Fulgidus lipase S136A complexed with fatty acid fragment
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 | 91.196, 107.873, 118.896 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.000 - 1.830 |
Rwork | 0.187 |
R-free | 0.22300 |
Structure solution method | MIR |
RMSD bond length | 0.020 |
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 | 1.900 |
High resolution limit [Å] | 1.830 | 1.830 |
Rmerge | 0.051 | 0.429 |
Number of reflections | 104198 | |
<I/σ(I)> | 31.8 | 5.4 |
Completeness [%] | 99.8 | 99.9 |
Redundancy | 5.8 | 5.3 |
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 |