7DI3
Cytochrome P450 (CYP105D18) W.T.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PAL/PLS BEAMLINE 5C (4A) |
| Synchrotron site | PAL/PLS |
| Beamline | 5C (4A) |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2018-11-15 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.987 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 91.688, 52.444, 87.952 |
| Unit cell angles | 90.00, 110.82, 90.00 |
Refinement procedure
| Resolution | 27.420 - 1.690 |
| R-factor | 0.1683 |
| Rwork | 0.166 |
| R-free | 0.21280 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4ubs |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.803 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0266) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.730 |
| High resolution limit [Å] | 1.690 | 1.690 |
| Rmerge | 0.074 | 0.360 |
| Number of reflections | 40181 | 3385 |
| <I/σ(I)> | 29.4 | |
| Completeness [%] | 96.9 | |
| Redundancy | 4.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 278 | 0.2 M Lithium sulfate, 0.1 M Tris-HCl, pH 8.5, and 25 %(w/v) PEG 3350 |
