6XJE
Triuret Hydrolase (TrtA) from Herbaspirillum sp. BH-1 C162S bound with triuret
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-D |
| Synchrotron site | APS |
| Beamline | 23-ID-D |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-11-27 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.033320 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 51.530, 114.440, 142.930 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 60.616 - 1.450 |
| Rwork | 0.172 |
| R-free | 0.18980 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6xix |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.873 |
| Data reduction software | XDS (BUILT=20180409) |
| Data scaling software | XDS (BUILT=20180409) |
| Phasing software | MOLREP (11.0) |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 60.620 | 1.550 |
| High resolution limit [Å] | 1.450 | 1.450 |
| Rmerge | 0.051 | 0.547 |
| Number of reflections | 150183 | 26952 |
| <I/σ(I)> | 20.99 | 3.97 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 7.47 | 7.21 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 291 | 1 uL 20 mg/mL protein + 1 uL 24% w/v PEG6000, 0.1 M Bis-Tris propane, 1 mM triuret, pH 8 |
