5IKI
CYP106A2 WITH SUBSTRATE ABIETIC ACID
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 |
| Unit cell lengths | 48.910, 57.390, 84.240 |
| Unit cell angles | 72.37, 75.19, 75.70 |
Refinement procedure
| Resolution | 78.730 - 2.400 |
| R-factor | 0.2044 |
| Rwork | 0.201 |
| R-free | 0.26091 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1f4t |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.518 |
| 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] | 78.980 | 2.530 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.070 | 0.220 |
| Number of reflections | 32407 | |
| <I/σ(I)> | 6.39 | 2.94 |
| Completeness [%] | 94.9 | 95.3 |
| Redundancy | 3.82 | 4.11 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.2 | 291 | PEG 4000 AMMONIUM ACETATE SODIUM ACETATE TRIHYDRATE |
