3MCR

Crystal structure of NADH dehydrogenase subunit C (Tfu_2693) from THERMOBIFIDA FUSCA YX-ER1 at 2.65 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	CCD
Collection date	2008-04-10
Detector	MARMOSAIC 325 mm CCD
Spacegroup name	P 43 21 2
Unit cell lengths	69.264, 69.264, 114.210
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.970 - 2.650
R-factor	0.21
Rwork	0.207
R-free	0.25900
Structure solution method	MR
Starting model (for MR)	2fug
RMSD bond length	0.009
RMSD bond angle	1.410
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	REFMAC (5.5.0102)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.970	48.970	2.740
High resolution limit [Å]	2.650	5.670	2.650
Rmerge	0.048	0.022	0.810
Number of reflections	8611	986	794
<I/σ(I)>	25.89	60.7	2.1
Completeness [%]	99.8	99.1	100
Redundancy	6.95

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	277	1.0000M 1,6-Hexanediol, 0.0100M CoCl2, 0.1M Acetate pH 4.6, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K