6F4U

Crystal structure of reactive loop cleaved kallistatin at 1.9 angstrom resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2011-01-01
Detector	DECTRIS PILATUS3 X CdTe 1M
Wavelength(s)	1.196
Spacegroup name	P 61
Unit cell lengths	113.510, 113.510, 76.172
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	98.500 - 1.900
R-factor	0.16848
Rwork	0.167
R-free	0.19526
RMSD bond length	0.011
RMSD bond angle	1.394
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.670	2.000
High resolution limit [Å]	1.900	1.900
Rmerge	0.043	0.326
Number of reflections	44414	6433
<I/σ(I)>	14	2.5
Completeness [%]	99.9	99.7
Redundancy	4.2	4.1

Crystallization Conditions

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