2W8S
CRYSTAL STRUCTURE OF A catalytically promiscuous PHOSPHONATE MONOESTER HYDROLASE FROM Burkholderia caryophylli
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH3R |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2006-11-04 |
| Detector | RIGAKU IMAGE PLATE |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 57.700, 200.100, 211.700 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.620 - 2.400 |
| R-factor | 0.185 |
| Rwork | 0.182 |
| R-free | 0.23900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2vqr |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.554 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.5.0070) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.620 | 2.500 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.140 | 0.610 |
| Number of reflections | 96059 | |
| <I/σ(I)> | 11.49 | 2.52 |
| Completeness [%] | 98.9 | 95.9 |
| Redundancy | 5.2 | 4.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | 0.1 M MES PH 6.5, 20 % (W/V) PEG 5000 MME, 0.3 M (NH4)2SO4 |
