2IOF
Crystal structure of phosphonoacetaldehyde hydrolase with sodium borohydride-reduced substrate intermediate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU300 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2003-10-03 |
Detector | RIGAKU RAXIS |
Wavelength(s) | 1.56210 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 159.820, 64.020, 98.330 |
Unit cell angles | 90.00, 123.52, 90.00 |
Refinement procedure
Resolution | 100.000 - 2.500 |
R-factor | 0.231 |
Rwork | 0.231 |
R-free | 0.29800 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.654 |
Data reduction software | DENZO |
Data scaling software | SCALA |
Phasing software | AMoRE |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 100.000 |
High resolution limit [Å] | 2.400 |
Rmerge | 0.190 |
Number of reflections | 27942 |
Completeness [%] | 92.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 291 | pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 291K |