4UPK
Phosphonate monoester hydrolase SpPMH from Silicibacter pomeroyi
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-07-21 |
| Detector | ADSC CCD |
| Spacegroup name | C 2 2 2 |
| Unit cell lengths | 190.500, 274.620, 96.320 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 18.350 - 2.240 |
| R-factor | 0.198 |
| Rwork | 0.196 |
| R-free | 0.22970 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2vqr |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.040 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.750 | 2.280 |
| High resolution limit [Å] | 2.240 | 2.240 |
| Rmerge | 0.390 | 1.470 |
| Number of reflections | 119850 | |
| <I/σ(I)> | 6.6 | 1.6 |
| Completeness [%] | 99.0 | 90.6 |
| Redundancy | 14.2 | 9.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | 0.1 M BIS-TRIS-PROPANE PH 7.0, 9% (W/V) PEG 8000, 0.2 M MGCL2 |
