6RQ1
CYP121 in complex with 2-methyl 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 | 2015-03-05 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 77.800, 77.800, 263.720 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 59.998 - 1.490 |
| R-factor | 0.1732 |
| Rwork | 0.172 |
| R-free | 0.19590 |
| 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] | 65.200 | 1.500 |
| High resolution limit [Å] | 1.490 | 1.490 |
| Number of reflections | 77945 | 2502 |
| <I/σ(I)> | 18 | 1.9 |
| Completeness [%] | 99.8 | 97.8 |
| Redundancy | 12 | 8 |
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 |
