6AZS
Structural and biochemical characterization of a non-canonical biuret hydrolase (BiuH) from the cyanuric acid catabolism pathway of Rhizobium leguminasorum bv. viciae 3841
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-03-29 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.95373 |
| Spacegroup name | P 2 21 21 |
| Unit cell lengths | 62.067, 122.244, 136.061 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.900 - 1.590 |
| R-factor | 0.15478 |
| Rwork | 0.154 |
| R-free | 0.17420 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6azn |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.787 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.900 | 1.620 |
| High resolution limit [Å] | 1.590 | 1.590 |
| Rmerge | 0.183 | 1.122 |
| Rpim | 0.074 | 0.530 |
| Number of reflections | 139549 | 6791 |
| <I/σ(I)> | 8.2 | |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 13.5 | 10.4 |
| CC(1/2) | 0.996 | 0.665 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.1 | 281 | Sitting drops were set up with 150 nL protein at 7 mg/mL plus 300 nL reservoir: 100 mM bis-tris chloride buffer at pH 6.1, 23.6 (w/v) PEG 3350, 160 mM sodium thiocyanate |
