4OS8
Three-dimensional structure of the C65A-W54F-W112F triple mutant of Human lipocalin-type Prostaglandin D Synthase apo-form
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-2 |
Synchrotron site | ESRF |
Beamline | ID23-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-04-30 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.87 |
Spacegroup name | P 1 |
Unit cell lengths | 42.510, 46.620, 47.890 |
Unit cell angles | 69.14, 77.10, 64.81 |
Refinement procedure
Resolution | 33.730 - 1.690 |
R-factor | 0.1963 |
Rwork | 0.194 |
R-free | 0.23240 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.004 |
RMSD bond angle | 0.903 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Refinement software | PHENIX ((phenix.refine: 1.8.2_1309)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 33.730 | 1.780 |
High resolution limit [Å] | 1.690 | 1.690 |
Rmerge | 0.090 | 0.205 |
Number of reflections | 33458 | |
<I/σ(I)> | 9.6 | |
Completeness [%] | 96.3 | 94.8 |
Redundancy | 2.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 0.1M Na Acetate, 2.0M Ammonium sulphate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |