3FG3
Crystal structure of Delta413-417:GS I805W 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 | 2008-02-20 |
Detector | MAR CCD 165 mm |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 103.704, 170.214, 104.202 |
Unit cell angles | 90.00, 96.13, 90.00 |
Refinement procedure
Resolution | 34.540 - 1.900 |
R-factor | 0.164 |
Rwork | 0.162 |
R-free | 0.20600 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 3fg1 |
RMSD bond length | 0.025 |
RMSD bond angle | 1.886 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | REFMAC (5.5.0088) |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.130 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.073 | 0.340 |
Number of reflections | 263905 | |
<I/σ(I)> | 18.576 | |
Completeness [%] | 96.1 | 76.3 |
Redundancy | 3.8 | 3.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 8 | 298 | 6-8% PEG 8000, 5% Glycerol, 0.2M CaCl2, 0.1M Imidazole acetate, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 298K |