6K8W
Crystal structure of N-domain with NADP of baterial malonyl-CoA reductase
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 | 2018-12-18 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 0.97933 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 85.871, 109.114, 130.907 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 33.760 - 3.170 |
R-factor | 0.2107 |
Rwork | 0.209 |
R-free | 0.27830 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6k8v |
RMSD bond length | 0.006 |
RMSD bond angle | 1.557 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 3.260 |
High resolution limit [Å] | 3.170 | 3.200 |
Rmerge | 0.153 | 0.302 |
Rpim | 0.074 | 0.173 |
Number of reflections | 20735 | 987 |
<I/σ(I)> | 13.1 | |
Completeness [%] | 97.4 | |
Redundancy | 4.6 | |
CC(1/2) | 0.979 | 0.845 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 295 | PEG3350, Li2SO4, Tris |