6BUR
Crystal structures of cyanuric acid hydrolase from Moorella thermoacetica complexed with barbituric acid
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 | 81.075, 89.121, 199.121 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.723 - 2.180 |
R-factor | 0.1656 |
Rwork | 0.163 |
R-free | 0.21170 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4nq3 |
RMSD bond length | 0.007 |
RMSD bond angle | 0.747 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX ((1.13rc2_2981: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 89.120 | 2.220 |
High resolution limit [Å] | 2.180 | 2.180 |
Rmerge | 0.122 | 0.941 |
Number of reflections | 75417 | 4434 |
<I/σ(I)> | 12.3 | 1.5 |
Completeness [%] | 99.3 | 99.9 |
Redundancy | 4.4 | 4.6 |
CC(1/2) | 0.999 | 0.536 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 20%PEG3350, 100mM |