6AZO
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 | CCD |
| Collection date | 2016-11-30 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97919 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 135.688, 100.957, 65.605 |
| Unit cell angles | 90.00, 91.84, 90.00 |
Refinement procedure
| Resolution | 44.990 - 2.460 |
| R-factor | 0.22789 |
| Rwork | 0.225 |
| R-free | 0.27603 |
| Structure solution method | SAD |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.634 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | CRANK2 |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.900 | 2.560 |
| High resolution limit [Å] | 2.460 | 2.460 |
| Rpim | 0.066 | 0.307 |
| Number of reflections | 32094 | 3560 |
| <I/σ(I)> | 11.4 | 2.7 |
| Completeness [%] | 99.7 | 98 |
| Redundancy | 19.8 | 7.4 |
| CC(1/2) | 0.991 | 0.817 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.1 | 281 | Protein at 4 mg/mL was set up in 200 nL plus 200 nL drops with reservoir: 100 mM bis-tris chloride at pH 6.1, 20.7% (w/v) PEG 4000, 89 mM lithium sulfate at 8C |
