5EW3

Human Vascular Endothelial Growth Factor Receptor 2 (KDR) Kinase Domain in complex with AAL993

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2002-10-03
Detector	MAR scanner 345 mm plate
Wavelength(s)	0.87270
Spacegroup name	P 1 21 1
Unit cell lengths	67.500, 55.760, 89.760
Unit cell angles	90.00, 92.28, 90.00

Refinement procedure

Resolution	19.680 - 2.500
R-factor	0.2194
Rwork	0.218
R-free	0.25350
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1vr2
RMSD bond length	0.008
RMSD bond angle	0.990
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	BUSTER-TNT

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.000	2.590
High resolution limit [Å]	2.500	2.500
Rmerge	0.081	0.582
Number of reflections	23229
<I/σ(I)>	17.05
Completeness [%]	98.9	98.9
Redundancy	3.37

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	290	0.1M MES pH6.5, 8% w/v PEG 8000, 0.02M LITHIUM ACETATE