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 |
