7ZVS

Crystal structure of the Schistosoma mansoni VKR2 kinase domain in an active-like state (ADP-bound)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-05-06
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9686
Spacegroup name	C 1 2 1
Unit cell lengths	206.258, 97.239, 72.944
Unit cell angles	90.00, 97.52, 90.00

Refinement procedure

Resolution	55.810 - 3.070
R-factor	0.2192
Rwork	0.217
R-free	0.25160
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2oj9
RMSD bond length	0.004
RMSD bond angle	0.819
Data reduction software	autoPROC
Data scaling software	autoPROC
Phasing software	PHASER
Refinement software	PHENIX ((1.18.2_3874: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	102.240	3.290
High resolution limit [Å]	3.060	3.060
Rmerge	0.084	0.820
Number of reflections	16396	821
<I/σ(I)>	2.4	2.5
Completeness [%]	87.3
Redundancy	4.6
CC(1/2)	0.990	0.420

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7	277	0.8 M succinic acid, pH 7.0, 100mM KCl and 50mM NaF