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 |