1EI6
CRYSTAL STRUCTURE OF PHOSPHONOACETATE HYDROLASE COMPLEXED WITH PHOSPHONOFORMATE
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 273 |
Detector technology | AREA DETECTOR |
Collection date | 1999-10-07 |
Detector | SIEMENS HI-STAR |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 57.500, 129.540, 133.380 |
Unit cell angles | 90.00, 96.90, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.100 |
R-factor | 0.194 |
Rwork | 0.192 |
R-free | 0.24900 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | SOLVE |
Refinement software | TNT (5E) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.200 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.053 | 0.212 |
Number of reflections | 104741 | |
<I/σ(I)> | 13.6 | |
Completeness [%] | 90.0 | 81 |
Redundancy | 2.1 | 1.33 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Batch | 7 | 298 | PEG 8000, Tartrate, MOPSO,Magnesium chloride, pH 7.0, Batch, temperature 298K |