8CT0
Crystal structure of FAD reductase CtcQ from Kitasatospora aureofaciens in complex with FAD and NAD
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-ID |
Synchrotron site | APS |
Beamline | 22-ID |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-02-11 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.0 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 56.739, 123.598, 102.698 |
Unit cell angles | 90.00, 99.10, 90.00 |
Refinement procedure
Resolution | 34.970 - 2.450 |
R-factor | 0.1967 |
Rwork | 0.194 |
R-free | 0.25570 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4l82 |
RMSD bond length | 0.004 |
RMSD bond angle | 1.349 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.490 |
High resolution limit [Å] | 2.450 | 2.450 |
Rmerge | 0.138 | 0.568 |
Number of reflections | 49072 | 2399 |
<I/σ(I)> | 8.9 | |
Completeness [%] | 96.4 | 95.4 |
Redundancy | 3.4 | 3.2 |
CC(1/2) | 0.978 | 0.696 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 294 | 0.6 M KH2PO4,0.6 M NaH2PO4, 0.1 M Tris pH 7.5 |