4YT3
CYP106A2
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 1 21 1 |
| Unit cell lengths | 47.060, 114.060, 83.450 |
| Unit cell angles | 90.00, 103.14, 90.00 |
Refinement procedure
| Resolution | 66.180 - 1.800 |
| R-factor | 0.16462 |
| Rwork | 0.163 |
| R-free | 0.19876 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1f4t |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.866 |
| Data reduction software | iMOSFLM (7.1.1) |
| Data scaling software | SCALA (CCP4_3.3.21) |
| Phasing software | MOLREP (12.02.08) |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 66.180 | 1.900 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.150 | 0.320 |
| Number of reflections | 79257 | |
| <I/σ(I)> | 7.5 | 3 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 5.6 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 4.2 | 291 | PEG 4000, ammonium acetate, sodium acetate trihydrate |
