5T13
Structure of the Cyanuric Acid Hydrolase TrzD Reveals Product Exit Channel
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-B |
Synchrotron site | APS |
Beamline | 23-ID-B |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-02-14 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 1.03322 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 67.591, 90.686, 120.075 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.450 - 2.190 |
R-factor | 0.1542 |
Rwork | 0.152 |
R-free | 0.20030 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4bvq |
RMSD bond length | 0.010 |
RMSD bond angle | 1.012 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.450 | 2.260 |
High resolution limit [Å] | 2.140 | 2.190 |
Rmerge | 0.080 | 0.565 |
Number of reflections | 19361 | |
<I/σ(I)> | 17.2 | 2.6 |
Completeness [%] | 99.8 | 97.9 |
Redundancy | 5.5 | |
CC(1/2) | 0.998 | 0.760 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.2 | 298 | 0.05 M Ammonium sulfate, 0.05 M BIS-TRIS pH 6.2, 30% Pentaerythritol ethoxylate |