4K2Y

Crystal Structure of Human Chymase in Complex with Fragment Inhibitor 6-chloro-1,3-dihydro-2H-indol-2-one

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E SUPERBRIGHT
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2006-05-11
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.5418
Spacegroup name	P 43
Unit cell lengths	74.405, 74.405, 49.701
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.636 - 2.300
R-factor	0.182
Rwork	0.178
R-free	0.25110
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.007
RMSD bond angle	1.072
Data reduction software	d*TREK
Data scaling software	d*TREK
Phasing software	CNS
Refinement software	PHENIX ((phenix.refine: 1.8_1069))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.330	2.380
High resolution limit [Å]	2.300	2.300
Rmerge	0.153	0.441
Number of reflections	11128
<I/σ(I)>	5.9	2.5
Completeness [%]	90.8	91.9
Redundancy	3.54	3.46

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	8	298	26-33% PEG8000, 0.1 M Tris, pH 8.0, 2 mM zinc sulfate, VAPOR DIFFUSION, temperature 298K