6XJ4
Triuret Hydrolase (TrtA) from Herbaspirillum sp. BH-1 C162S bound with biuret
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 | PIXEL |
| Collection date | 2019-04-12 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.992 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 51.630, 114.180, 141.470 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 57.090 - 1.780 |
| Rwork | 0.156 |
| R-free | 0.18720 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6xix |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.703 |
| Data reduction software | XDS (BUILT=20190315) |
| Data scaling software | XDS (BUILT=20190315) |
| Phasing software | MOLREP (11.0) |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 57.090 | 1.880 |
| High resolution limit [Å] | 1.780 | 1.780 |
| Rmerge | 0.062 | 0.369 |
| Number of reflections | 80968 | 23387 |
| <I/σ(I)> | 12.44 | 4.26 |
| Completeness [%] | 99.8 | 99.9 |
| Redundancy | 3.85 | 3.77 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 9 | 291 | 1uL 10 mg/mL TrtA + 1 uL 26% w/v PEG6000, 0.1 M Bis-Tris propane, 30 mM biuret, pH 9 |
