4YLM
Structure of PvcB, an Fe, alpha-ketoglutarate dependent oxygenase from an isonitrile synthetic pathway
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] | 110 |
| Detector technology | CCD |
| Collection date | 2014-04-17 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.0323 |
| Spacegroup name | P 63 2 2 |
| Unit cell lengths | 124.950, 124.950, 107.210 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 40.900 - 2.050 |
| R-factor | 0.1889 |
| Rwork | 0.187 |
| R-free | 0.21880 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3eat |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.055 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((phenix.refine: 1.7.1_743)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.900 | 2.070 |
| High resolution limit [Å] | 2.020 | 2.020 |
| Rmerge | 0.122 | 0.538 |
| Number of reflections | 32890 | |
| <I/σ(I)> | 12.6 | 4.6 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 12.6 | 12.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 287 | 0.1 M BTP pH 7.5, 5% PEG 20000, 0.1 M sodium citrate tribasic |
