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