8HGN
Crystal structure of MeaC (Mesaconyl-CoA hydratase)
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 | 2019-07-27 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 0.9793 |
Spacegroup name | P 63 |
Unit cell lengths | 79.224, 79.224, 91.008 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 32.120 - 1.950 |
R-factor | 0.21341 |
Rwork | 0.210 |
R-free | 0.27811 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4e3e |
RMSD bond length | 0.009 |
RMSD bond angle | 1.698 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.980 |
High resolution limit [Å] | 1.950 | 5.290 | 1.950 |
Rmerge | 0.108 | 0.079 | 0.209 |
Rmeas | 0.115 | ||
Rpim | 0.039 | ||
Number of reflections | 23337 | 2273 | 2048 |
<I/σ(I)> | 7.8 | ||
Completeness [%] | 98.5 | 97.2 | 85.4 |
Redundancy | 6.9 | 4.7 | 2.2 |
CC(1/2) | 0.998 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 20%(w/v) PEG3350, 0.2M DL-Malic acid (pH 7.0) |