1WVW

Crystal structures of kinase domain of DAP kinase in complex with small molecular inhibitors

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL40B2
Synchrotron site	SPring-8
Beamline	BL40B2
Temperature [K]	100
Detector technology	CCD
Collection date	2002-10-04
Detector	ADSC QUANTUM 4
Wavelength(s)	0.9000
Spacegroup name	P 21 21 21
Unit cell lengths	77.992, 109.909, 50.063
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.979 - 2.400
R-factor	0.2323
Rwork	0.232
R-free	0.27020
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1kob
RMSD bond length	0.007
RMSD bond angle	1.200
Data reduction software	MOSFLM
Data scaling software	CCP4 ((SCALA))
Phasing software	AMoRE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.530
High resolution limit [Å]	2.400	2.400
Rmerge	0.118	0.346
Number of reflections	17268
Completeness [%]	99.2	99.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	283	sodium cacodylate, PEG8000, magnesium acetate, glycerol, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 283K