4G73

Crystal structure of NDH with NADH and Quinone

Experimental procedure

Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2012-03-19
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9792
Spacegroup name	C 2 2 21
Unit cell lengths	127.406, 230.186, 112.921
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.364 - 2.522
R-factor	0.1904
Rwork	0.189
R-free	0.21750
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4g6g
RMSD bond length	0.011
RMSD bond angle	1.416
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASES
Refinement software	PHENIX ((phenix.refine: 1.7.3_928))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	3.390	2.590
High resolution limit [Å]	2.500	3.150	2.500
Rmerge	0.114	0.134	0.753
Number of reflections	55609
Completeness [%]	99.9	99.9	99.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.2	291	3.8M potassium formate, 2% w/v Polyethylene glycol monomethyl ether 2000, pH 4.2, VAPOR DIFFUSION, HANGING DROP, temperature 291K