6Y9D
Crystal structure of the quaternary ammonium Rieske monooxygenase CntA in complex with substrate L-Carnitine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-02-10 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1.3 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 91.590, 177.770, 158.800 |
| Unit cell angles | 90.00, 90.17, 90.00 |
Refinement procedure
| Resolution | 81.419 - 1.970 |
| R-factor | 0.2116 |
| Rwork | 0.210 |
| R-free | 0.24710 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3vcp |
| Data reduction software | DIALS |
| Data scaling software | DIALS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 81.420 | 2.040 |
| High resolution limit [Å] | 1.970 | 1.970 |
| Rmerge | 0.149 | 0.958 |
| Rmeas | 0.178 | 1.168 |
| Rpim | 0.096 | 0.660 |
| Number of reflections | 353116 | 35196 |
| <I/σ(I)> | 5.18 | 1.21 |
| Completeness [%] | 98.8 | 98.47 |
| Redundancy | 3.3 | 3 |
| CC(1/2) | 0.984 | 0.638 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.6 | 295 | 10mM HEPES, 20% PEG3350 (w/v), 0.2M NaSCN, 0.5mM TCEP |
