7Q9E
CYP106A1
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 | PIXEL |
| Collection date | 2014-09-26 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97916 |
| Spacegroup name | P 1 |
| Unit cell lengths | 63.690, 82.870, 84.860 |
| Unit cell angles | 95.36, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.820 - 1.700 |
| R-factor | 0.1707 |
| Rwork | 0.169 |
| R-free | 0.20590 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4yt3 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.662 |
| Data reduction software | iMOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.920 | 1.790 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.066 | 0.307 |
| Rmeas | 0.079 | 0.367 |
| Rpim | 0.043 | 0.199 |
| Number of reflections | 168988 | 23968 |
| <I/σ(I)> | 7.05 | 2.11 |
| Completeness [%] | 88.9 | |
| Redundancy | 3.3 | |
| CC(1/2) | 0.996 | 0.920 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | PEG 3350, lithium sulphate |
