3FG1
Crystal structure of Delta413-417:GS LOX
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CAMD BEAMLINE GCPCC |
Synchrotron site | CAMD |
Beamline | GCPCC |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-06-23 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 1.38 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 103.982, 170.224, 104.497 |
Unit cell angles | 90.00, 95.88, 90.00 |
Refinement procedure
Resolution | 30.000 - 1.850 |
R-factor | 0.176 |
Rwork | 0.174 |
R-free | 0.20900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2fnq |
RMSD bond length | 0.015 |
RMSD bond angle | 1.409 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.920 |
High resolution limit [Å] | 1.850 | 1.850 |
Rmerge | 0.068 | 0.677 |
Number of reflections | 303426 | |
<I/σ(I)> | 21.041 | 2.1 |
Completeness [%] | 98.8 | 98 |
Redundancy | 4 | 4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 298 | 6-8% PEG 8000, 5% Glycerol, 1% Tween 20, 0.2M CaCl2, 0.1M Imidazole acetate, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 298K |