3GTF
D71G/E101G/V235L mutant in organophosphorus hydrolase from Deinococcus radiodurans
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-ID |
Synchrotron site | APS |
Beamline | 22-ID |
Temperature [K] | 100 |
Collection date | 2007-02-14 |
Wavelength(s) | 1 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 60.954, 60.954, 204.282 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 20.000 - 1.980 |
R-factor | 0.377 |
Rwork | 0.202 |
R-free | 0.26800 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.014 |
RMSD bond angle | 1.770 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.100 |
High resolution limit [Å] | 1.980 | 1.980 |
Number of reflections | 30232 | |
Completeness [%] | 96.9 | 89.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 289 | 2.8 M Na-acetate*3H20, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 289K |