3OOD
Structure of OpdA Y257F mutant soaked with diethyl 4-methoxyphenyl phosphate for 20 hours.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E SUPERBRIGHT |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2008-07-11 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.54178 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 109.000, 109.000, 62.000 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 17.270 - 1.890 |
R-factor | 0.15673 |
Rwork | 0.155 |
R-free | 0.19493 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2d2j |
RMSD bond length | 0.013 |
RMSD bond angle | 1.377 |
Data reduction software | CrystalClear |
Data scaling software | CrystalClear |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 |
High resolution limit [Å] | 1.890 | 1.890 |
Rmerge | 0.051 | |
Number of reflections | 33015 | |
<I/σ(I)> | 22.6 | |
Completeness [%] | 100.0 | 100 |
Redundancy | 7.97 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 291 | 14.4 % PEG 8000, 160mM calcium acetate hydrate, 80mM sodium cacodylate, 20% glycerol, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K |