4EYW
Crystal structure of rat carnitine palmitoyltransferase 2 in complex with 1-[(R)-2-(3,4-Dihydro-1H-isoquinoline-2-carbonyl)-piperidin-1-yl]-2-phenoxy-ethanone
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X10SA |
Synchrotron site | SLS |
Beamline | X10SA |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-11-24 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.97200 |
Spacegroup name | P 42 21 2 |
Unit cell lengths | 148.144, 148.144, 192.070 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.983 - 1.885 |
R-factor | 0.1739 |
Rwork | 0.173 |
R-free | 0.19720 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | IN-HOUSE MODEL |
RMSD bond length | 0.007 |
RMSD bond angle | 1.033 |
Data reduction software | DENZO |
Data scaling software | SADABS |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: dev_1032)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.983 | 1.980 |
High resolution limit [Å] | 1.880 | 1.880 |
Rmerge | 0.096 | 0.739 |
Number of reflections | 170100 | |
<I/σ(I)> | 14.42 | 2.59 |
Completeness [%] | 99.3 | 95.9 |
Redundancy | 7.2 | 4.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 |