4YAR
2-Hydroxyethylphosphonate dioxygenase (HEPD) E176H
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-F |
| Synchrotron site | APS |
| Beamline | 21-ID-F |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-03-14 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97872 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 85.286, 95.953, 101.142 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 63.750 - 1.750 |
| R-factor | 0.19774 |
| Rwork | 0.196 |
| R-free | 0.23789 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3g7d |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.860 |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 63.750 | 1.756 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Number of reflections | 40013 | |
| <I/σ(I)> | 21.4 | 4 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 14.1 | 14.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 282 | 1 M sodium acetate, 0.1 M HEPES pH 7.5, 0.05 M cadmium sulfate |
