4Z6A

Crystal Structure of a FVIIa-Trypsin Chimera (YT) in Complex with Soluble Tissue Factor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX II BEAMLINE I911-3
Synchrotron site	MAX II
Beamline	I911-3
Temperature [K]	100
Detector technology	CCD
Collection date	2013-09-25
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	67.030, 81.700, 124.560
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.513 - 2.250
R-factor	0.1907
Rwork	0.188
R-free	0.24050
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	In-House FVIIa-WT:sTF-FFR similar to 1DAN
RMSD bond length	0.008
RMSD bond angle	0.900
Data reduction software	XDS (March 30, 2013)
Data scaling software	XSCALE (July 4, 2012 BUILT=20130706)
Phasing software	PHASER (2.5.7)
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.515		2.330
High resolution limit [Å]	2.250	10.060	2.250
Rmerge	0.143	0.021	1.433
Rmeas	0.158	0.026	1.694
Total number of observations	155085
Number of reflections	32041	658	3467
<I/σ(I)>	7.33	30.18	0.64
Completeness [%]	97.0	93.2	81
Redundancy	4.8		3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	295	0.1M NaCitrate, 16.6% PEG 3350, 12.5% 1-Propanol, with seeding