8A7S
Malonyl-CoA reductase from Chloroflexus aurantiacus - C-terminal NADP bound
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-10-04 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97626 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 87.196, 140.718, 74.314 |
Unit cell angles | 90.00, 98.41, 90.00 |
Refinement procedure
Resolution | 49.030 - 1.542 |
R-factor | 0.1715 |
Rwork | 0.170 |
R-free | 0.19790 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 8a30 |
RMSD bond length | 0.006 |
RMSD bond angle | 0.798 |
Data reduction software | DIALS |
Data scaling software | DIALS |
Phasing software | PHASER |
Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.030 | 1.597 |
High resolution limit [Å] | 1.542 | 1.542 |
Rmerge | 0.046 | 0.450 |
Rmeas | 0.065 | 0.636 |
Rpim | 0.046 | 0.450 |
Number of reflections | 212003 | 4951 |
<I/σ(I)> | 4.2 | |
Completeness [%] | 86.5 | 38.23 |
Redundancy | 1.9 | 1.5 |
CC(1/2) | 0.996 | 0.628 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 0.8 M succinic acid, pH 7.0 |