6CXT

Crystal structure of FAD-dependent dehydrogenase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.1
Synchrotron site	ALS
Beamline	8.2.1
Temperature [K]	100
Detector technology	CCD
Collection date	2016-11-07
Detector	ADSC QUANTUM 315r
Wavelength(s)	1
Spacegroup name	P 64 2 2
Unit cell lengths	104.416, 104.416, 234.139
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.000 - 1.900
R-factor	0.1828
Rwork	0.182
R-free	0.21072
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB entries 4IRN & 4ETW
RMSD bond length	0.018
RMSD bond angle	1.881
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.000	45.000	1.930
High resolution limit [Å]	1.900	5.150	1.900
Rmerge	0.100	0.043	0.645
Rmeas	0.102	0.044	0.660
Rpim	0.021	0.010	0.139
Total number of observations	1386667
Number of reflections	60078	3353	2932
<I/σ(I)>	7.7
Completeness [%]	100.0	99.8	100
Redundancy	23.1	21.6	22.2
CC(1/2)		0.999	0.971

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	279	15 mM magnesium acetate, 50 mM sodium cacodylate, pH 6.0, 1.8 M ammonium sulfate