4G6G

Crystal structure of NDH with TRT

Experimental procedure

Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2010-10-10
Detector	MAR CCD 165 mm
Spacegroup name	C 2 2 21
Unit cell lengths	132.921, 230.598, 112.250
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.590 - 2.390
R-factor	0.1948
Rwork	0.193
R-free	0.23420
Structure solution method	SAD
RMSD bond length	0.008
RMSD bond angle	1.339
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SHELXS
Refinement software	PHENIX ((phenix.refine: 1.6.3_473))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	35.590	3.240	2.480
High resolution limit [Å]	2.390	3.010	2.390
Number of reflections	65729
Completeness [%]	99.1	99.8	83.7

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