3DIF
Crystal structure of FabOX117
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-11-08 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.9537 |
| Spacegroup name | P 1 |
| Unit cell lengths | 41.206, 70.602, 87.849 |
| Unit cell angles | 101.50, 102.94, 98.32 |
Refinement procedure
| Resolution | 30.000 - 2.400 |
| R-factor | 0.22204 |
| Rwork | 0.219 |
| R-free | 0.28632 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3dgg |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.026 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.490 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.103 | 0.649 |
| Number of reflections | 35860 | |
| <I/σ(I)> | 10.8 | 1.4 |
| Completeness [%] | 97.7 | 96.7 |
| Redundancy | 3.4 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 85% of 0.2M Ammonium sulfate, 30% w/v PEG 4000 in 15% water - with 10 microliters of 1M NaOH per 1ml crystallization solution, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
