5UNQ
Crystal Structure of Pt0534 Inactivated by 2-Oxo-3-pentynoate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.3 |
| Synchrotron site | ALS |
| Beamline | 5.0.3 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-02-21 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97648 |
| Spacegroup name | P 1 |
| Unit cell lengths | 54.214, 57.586, 63.528 |
| Unit cell angles | 106.69, 104.54, 94.03 |
Refinement procedure
| Resolution | 40.830 - 1.976 |
| R-factor | 0.2141 |
| Rwork | 0.212 |
| R-free | 0.25560 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3n4g |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.530 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 50.000 |
| High resolution limit [Å] | 1.980 |
| Number of reflections | 47036 |
| <I/σ(I)> | 6.63 |
| Completeness [%] | 96.0 |
| Redundancy | 1.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 298 | 24% PEG 4000 0.2 M ammonium acetate 0.1 M trisodium citrate pH 5.6 |
