1SWV
Crystal structure of the D12A mutant of phosphonoacetaldehyde hydrolase complexed with magnesium
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU300 |
Temperature [K] | 277 |
Detector technology | IMAGE PLATE |
Collection date | 1998-11-27 |
Detector | RIGAKU RAXIS II |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 64.503, 62.553, 73.759 |
Unit cell angles | 90.00, 108.76, 90.00 |
Refinement procedure
Resolution | 61.080 - 2.300 |
R-factor | 0.216 |
Rwork | 0.216 |
R-free | 0.27800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1fez |
RMSD bond length | 0.007 |
RMSD bond angle | 1.200 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 61.080 | 2.380 |
High resolution limit [Å] | 1.990 | 2.300 |
Number of reflections | 30955 | |
<I/σ(I)> | 12.5 | 2.9 |
Completeness [%] | 91.5 | 86.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.4 | pH 7.4 |