2IOH
Crystal structure of phosphonoacetaldehyde hydrolase with a K53R mutation
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2003-10-03 |
Detector | RIGAKU RAXIS |
Wavelength(s) | 1.50000 |
Spacegroup name | H 3 2 |
Unit cell lengths | 251.728, 251.728, 156.340 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 50.000 - 2.900 |
Rwork | 0.253 |
R-free | 0.26500 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 1.511 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 100.000 |
High resolution limit [Å] | 2.700 |
Rmerge | 0.120 |
Number of reflections | 50000 |
Completeness [%] | 99.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | Ammonium phosphate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K |