4YLQ

Crystal Structure of a FVIIa-Trypsin Chimera (FT) 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	2014-06-18
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	71.310, 80.040, 123.380
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.253 - 1.400
R-factor	0.1414
Rwork	0.140
R-free	0.17370
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	In-House FVIIa-WT:sTF-FFR similar to 1DAN
RMSD bond length	0.023
RMSD bond angle	1.761
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]	33.570		1.450
High resolution limit [Å]	1.400	10.000	1.400
Rmerge	0.094	0.026	2.074
Rmeas	0.101	0.028	2.275
Total number of observations	1011012
Number of reflections	138932	439	13764
<I/σ(I)>	14.07	66.31	0.83
Completeness [%]	100.0	95.6	99.9
Redundancy	7.3		6.1

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