3OP5

Human vaccinia-related kinase 1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I02
Synchrotron site	Diamond
Beamline	I02
Temperature [K]	200
Detector technology	CCD
Collection date	2010-06-30
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.9795
Spacegroup name	P 21 21 21
Unit cell lengths	92.970, 97.190, 191.990
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.338 - 2.400
R-factor	0.1793
Rwork	0.178
R-free	0.21330
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	ENSEMBL OF PDB ENTRIES 2V62 2JII and 1CKJ
RMSD bond length	0.009
RMSD bond angle	0.970
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.16)
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.338	46.338	2.530
High resolution limit [Å]	2.400	7.590	2.400
Rmerge		0.032	0.548
Number of reflections	67821
<I/σ(I)>	7.8	16.6	1.4
Completeness [%]	98.9	96.5	98.6
Redundancy	3.5	3.5	3.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	277	0.2m K/Na(tartrate), 20% PEG 3350, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K