4EDY
Crystal structure of hH-PGDS with water displacing inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 |
Detector technology | CCD |
Detector | MAR CCD 165 mm |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 48.685, 78.099, 52.585 |
Unit cell angles | 90.00, 91.74, 90.00 |
Refinement procedure
Resolution | 19.520 - 1.720 |
R-factor | 0.17602 |
Rwork | 0.175 |
R-free | 0.20437 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.005 |
RMSD bond angle | 0.828 |
Data scaling software | SCALEPACK |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 20.000 | 20.000 | 1.780 |
High resolution limit [Å] | 1.720 | 3.700 | 1.720 |
Rmerge | 0.033 | 0.230 | 0.670 |
Number of reflections | 40679 | ||
<I/σ(I)> | 18.9 | ||
Completeness [%] | 97.5 | 97.5 | 90.2 |
Redundancy | 3.8 | 3.7 | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | vapor diffusion |