6RQD
CYP121 in complex with 3-chloro dicyclotyrosine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-01-26 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 77.580, 77.580, 263.721 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 67.186 - 1.499 |
| R-factor | 0.2068 |
| Rwork | 0.205 |
| R-free | 0.23660 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | pdbid 1N40 |
| Data reduction software | xia2 |
| Data scaling software | DIALS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 67.186 | 1.518 |
| High resolution limit [Å] | 1.499 | 1.499 |
| Number of reflections | 76427 | 2492 |
| <I/σ(I)> | 8.3 | 1.5 |
| Completeness [%] | 100.0 | |
| Redundancy | 14 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 277 | 1.5 - 2.1 M Ammonium sulfate, 0.1 M MES |
