5JWB

Structure of NDH2 from plasmodium falciparum in complex with NADH

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2011-01-20
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.979
Spacegroup name	I 41
Unit cell lengths	191.530, 191.530, 91.258
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.910 - 2.700
R-factor	0.183
Rwork	0.180
R-free	0.22600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4g6g
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (PHENIX.REFINE:1.8.4_1496)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.800
High resolution limit [Å]	2.700	2.700
Rmerge	0.092	0.743
Rmeas	0.036
Rpim	0.099	1.100
Total number of observations	337713
Number of reflections	45452	4672
<I/σ(I)>	9.7
Completeness [%]	99.9	99.8
Redundancy	7.4	7.2
CC(1/2)		1.000

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291.15	protein (10mg/ml) reservoir solution (2.7M sodium acetate trihydrate, pH screen kit from Hampoton Research at 4.8 or 10.0)