5KYO
Crystal Structure of CYP101J2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-03-18 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9537 |
| Spacegroup name | P 1 |
| Unit cell lengths | 99.426, 100.031, 99.963 |
| Unit cell angles | 63.46, 63.66, 63.67 |
Refinement procedure
| Resolution | 42.601 - 1.800 |
| R-factor | 0.2258 |
| Rwork | 0.223 |
| R-free | 0.27630 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1t85 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.182 |
| Data reduction software | iMOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 72.570 | 1.830 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.128 | 0.838 |
| Number of reflections | 261465 | |
| <I/σ(I)> | 7.3 | |
| Completeness [%] | 95.7 | |
| Redundancy | 4.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 295 | 19% PEG 6000, 0.1 M MES pH 6.0, 0.2 M LiCl |
