6BUO
Crystal structures of cyanuric acid hydrolase from Moorella thermoacetica
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-E |
Synchrotron site | APS |
Beamline | 24-ID-E |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-10-10 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.979 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 81.450, 88.822, 202.847 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.953 - 1.850 |
R-factor | 0.1509 |
Rwork | 0.149 |
R-free | 0.17640 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4nq3 |
RMSD bond length | 0.004 |
RMSD bond angle | 0.686 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX ((1.15.2_3472: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.953 | 1.850 |
High resolution limit [Å] | 1.850 | 1.620 |
Rmerge | 0.124 | 1.915 |
Number of reflections | 248749 | 9034 |
<I/σ(I)> | 17.6 | |
Completeness [%] | 100.0 | 62 |
Redundancy | 7.1 | 3.7 |
CC(1/2) | 0.996 | 0.123 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 20%PEG3350, 100mM CaCl2 |