6BUM
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 | 2015-12-06 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.979 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 81.440, 88.690, 204.280 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.993 - 1.510 |
R-factor | 0.1269 |
Rwork | 0.126 |
R-free | 0.14100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3nq4 |
RMSD bond length | 0.004 |
RMSD bond angle | 0.764 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX ((1.13rc2_2975: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.350 | 1.540 |
High resolution limit [Å] | 1.510 | 1.510 |
Rmerge | 0.037 | 0.625 |
Number of reflections | 221630 | 8020 |
<I/σ(I)> | 20.1 | 1.2 |
Completeness [%] | 95.8 | 70.2 |
Redundancy | 3.9 | 2 |
CC(1/2) | 0.999 | 0.471 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5 | 293 | 20%PEG3350, 100mMCaCl2 |