4K60

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	CCD
Collection date	2006-06-15
Detector	MAR CCD 165 mm
Wavelength(s)	0.9099
Spacegroup name	P 43
Unit cell lengths	74.615, 74.615, 49.738
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.369 - 1.500
R-factor	0.1816
Rwork	0.180
R-free	0.20070
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.006
RMSD bond angle	1.114
Data reduction software	d*TREK (9.9.9.4L)
Data scaling software	d*TREK
Phasing software	CNX
Refinement software	PHENIX (1.8_1069)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	33.370	33.370	1.550
High resolution limit [Å]	1.500	3.230	1.500
Rmerge	0.077	0.051	0.467
Total number of observations		27261	26308
Number of reflections	43872
<I/σ(I)>	10.4	26.5	3
Completeness [%]	99.9	99.9	100
Redundancy	6.04	6.01	5.98

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