6L3P
Crystal strcuture of Feruloyl-CoA hydratase lyase(FCHL) complexed with CoA
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PAL/PLS BEAMLINE 7A (6B, 6C1) |
Synchrotron site | PAL/PLS |
Beamline | 7A (6B, 6C1) |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2019-05-17 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 0.97934 |
Spacegroup name | H 3 2 |
Unit cell lengths | 136.781, 136.781, 242.723 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 31.520 - 2.500 |
R-factor | 0.2382 |
Rwork | 0.236 |
R-free | 0.28400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2j5i |
RMSD bond length | 0.010 |
RMSD bond angle | 1.579 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0230) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.560 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmeas | 0.084 | |
Rpim | 0.022 | |
Number of reflections | 29931 | 2038 |
<I/σ(I)> | 38.3 | |
Completeness [%] | 98.5 | |
Redundancy | 11.2 | |
CC(1/2) | 0.995 | 0.935 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.2 | 293 | 25% propanediol, PEG3000, Glycerol |