5JWA

the structure of malaria PfNDH2

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	191.670, 191.670, 91.388
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.177 - 2.162
R-factor	0.1902
Rwork	0.188
R-free	0.22840
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4g6g
RMSD bond length	0.008
RMSD bond angle	1.160
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHAS
Refinement software	PHENIX (phenix.refine: 1.8.4_1496)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.200
High resolution limit [Å]	2.160	5.860	2.160
Rmerge	0.080	0.040	0.837
Number of reflections	87149
<I/σ(I)>	11.8
Completeness [%]	98.4	98.2	96.7
Redundancy	6.2	6.3	6

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 to 10.0 to 10.6)