5LIV
Crystal structure of myxobacterial CYP260A1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-05-17 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9393 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 234.560, 234.560, 96.430 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 69.930 - 2.670 |
| R-factor | 0.1891 |
| Rwork | 0.187 |
| R-free | 0.22320 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5hiw |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.920 |
| Data reduction software | iMOSFLM (7.1.1) |
| Data scaling software | Aimless (0.3.11) |
| Phasing software | MOLREP (11.02.05) |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 69.930 | 2.720 |
| High resolution limit [Å] | 2.670 | 2.670 |
| Rmerge | 0.121 | 0.555 |
| Number of reflections | 86158 | |
| <I/σ(I)> | 4.8 | 1.3 |
| Completeness [%] | 99.7 | 97.9 |
| Redundancy | 5.5 | 4.8 |
| CC(1/2) | 0.992 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | 0.1 MES monohydrate, pH 6.5, with 1.6 M magnesium sulphate heptahydrate |
