3DGG
Crystal structure of FabOX108
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 | 2006-11-04 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.87260 |
| Spacegroup name | P 1 2 1 |
| Unit cell lengths | 78.225, 52.142, 112.123 |
| Unit cell angles | 90.00, 103.14, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.300 |
| R-factor | 0.19027 |
| Rwork | 0.187 |
| R-free | 0.24615 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 32c2 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.061 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.380 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.101 | 0.649 |
| Number of reflections | 39870 | |
| <I/σ(I)> | 16.3 | 1.5 |
| Completeness [%] | 98.1 | 83.2 |
| Redundancy | 5.3 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 2M Ammonium sulfate, 5% v/v Isopropanol, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
