2QOR

Crystal structure of Plasmodium vivax guanylate kinase

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2007-06-15
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97907, 0.97922, 0.91162
Spacegroup name	P 65 2 2
Unit cell lengths	43.535, 43.535, 342.800
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	37.480 - 1.800
R-factor	0.201
Rwork	0.200
R-free	0.22700
Structure solution method	MAD
RMSD bond length	0.011
RMSD bond angle	1.422
Data reduction software	TRUNCATE (CCP4_5.99)
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	42.840	50.000	1.860
High resolution limit [Å]	1.800	3.880	1.800
Rmerge	0.099	0.075	0.612
Number of reflections	19333
<I/σ(I)>	12.1
Completeness [%]	99.7	99.7	98.2
Redundancy	17.2	22	9.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	295	0.1 ul Protein, 0.1 ul Crystallization buffer (65% PEG 400, 0.1M MOPS pH 7.5, 0.1M NaNO3, 5mM GMP), VAPOR DIFFUSION, SITTING DROP, temperature 295K