6AZQ
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 MX1 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2017-04-08 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.95370 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 73.702, 87.303, 341.695 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 42.850 - 2.220 |
| R-factor | 0.25044 |
| Rwork | 0.249 |
| R-free | 0.27744 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6azn |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.433 |
| Data reduction software | xia2 |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.700 | 2.260 |
| High resolution limit [Å] | 2.220 | 2.220 |
| Rmerge | 0.159 | 0.726 |
| Rpim | 0.093 | 0.434 |
| Number of reflections | 110156 | 5317 |
| <I/σ(I)> | 7.7 | 2.5 |
| Completeness [%] | 99.9 | 98.6 |
| Redundancy | 7.4 | 7.1 |
| CC(1/2) | 0.990 | 0.652 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 293 | Sitting drops were set up with 200 nL protein at 13 mg/mL plus 200 nL reservoir: 11.9% (w/v) PEG 8000, 27 mM calcium chloride, 100 mM citrate buffer at pH 5.5 |
