6F4V

Crystal structure of cleaved Kallistatin complexed with heparin at 1.8 Angstrom resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-01-01
Detector	DECTRIS PILATUS3 R CdTe 300K
Wavelength(s)	1.1960
Spacegroup name	P 61
Unit cell lengths	113.770, 113.770, 76.561
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	98.530 - 1.800
R-factor	0.17343
Rwork	0.172
R-free	0.19636
RMSD bond length	0.011
RMSD bond angle	1.458
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	56.880	1.840
High resolution limit [Å]	1.800	1.800
Rmerge	0.061
Number of reflections	52290	3094
<I/σ(I)>	15.3	1.5
Completeness [%]	99.5	97.9
Redundancy	7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	30% TERTBUTABOL