1U26
Crystal structure of Selenomonas ruminantium phytase complexed with persulfated phytate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSRRC BEAMLINE BL17B2 |
Synchrotron site | NSRRC |
Beamline | BL17B2 |
Detector technology | IMAGE PLATE |
Collection date | 2001-03-25 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.071 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 161.301, 101.923, 46.060 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.500 |
Rwork | 0.207 |
R-free | 0.26000 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 1.330 |
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 | 2.590 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.081 | 0.299 |
Number of reflections | 44488 | |
<I/σ(I)> | 20 | |
Completeness [%] | 98.8 | 97.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 0.1M Tris-HCl, 20mM Ca(OAc)2, 10% PEG8000, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |