4UPH
Crystal Structure of Phosphonate Monoester Hydrolase of Agrobacterium radiobacter
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-09-22 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 232.690, 232.690, 112.050 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 58.170 - 2.500 |
| R-factor | 0.1974 |
| Rwork | 0.196 |
| R-free | 0.22510 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.050 |
| Data reduction software | AutoPROC |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 58.170 | 2.800 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.160 | 0.770 |
| Number of reflections | 106159 | |
| <I/σ(I)> | 9.8 | 3.1 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 10.8 | 11.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7 | 291 | 0.1M TRIS-HCL PH=7.0 10% PEG 8000 0.2M MGCL2 |
