4ZMA

Crystal Structure of a FVIIa-Trypsin Chimera (ST) 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	2013-06-05
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	66.209, 80.898, 125.759
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.768 - 2.300
R-factor	0.2429
Rwork	0.240
R-free	0.29470
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	In-House FVIIa-WT:sTF-FFR similar to 1DAN
RMSD bond length	0.017
RMSD bond angle	0.588
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	Outer shell
Low resolution limit [Å]	29.770	2.382
High resolution limit [Å]	2.300	2.300
Rmerge	0.157	1.920
Number of reflections	29510
<I/σ(I)>	8.65	0.78
Completeness [%]	96.0	87
Redundancy	3.5	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.1	295	0.1M Cacodylate,11% PEG 8000 , with seeding