1U25
Crystal structure of Selenomonas ruminantium phytase complexed with persulfated phytate in the C2221 crystal form
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL12B2 |
Synchrotron site | SPring-8 |
Beamline | BL12B2 |
Detector technology | CCD |
Collection date | 2003-02-15 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 1.0362 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 128.376, 228.745, 91.778 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 35.210 - 2.500 |
Rwork | 0.179 |
R-free | 0.26500 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.017 |
RMSD bond angle | 1.980 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.530 |
High resolution limit [Å] | 2.440 | 2.440 |
Rmerge | 0.078 | |
Number of reflections | 37388 | |
<I/σ(I)> | 13 | |
Completeness [%] | 84.0 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 9 | 298 | 0.1M LiCl, 0.05M CAPSO, 12% PEG6000, 2% PEG200, pH 9.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |