5EOD

Human Plasma Coagulation FXI with peptide LP2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	80
Detector technology	PIXEL
Collection date	2012-10-12
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.976
Spacegroup name	P 43 21 2
Unit cell lengths	81.065, 81.065, 253.084
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.400 - 3.100
R-factor	0.19353
Rwork	0.189
R-free	0.27393
RMSD bond length	0.013
RMSD bond angle	1.826
Data reduction software	XDS
Phasing software	PHASER
Refinement software	REFMAC (5.8.0131)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.400	3.130
High resolution limit [Å]	2.970	2.970
Rmerge	0.149	0.714
Number of reflections	18287
<I/σ(I)>	12.5	3.1
Completeness [%]	99.8	98.9
Redundancy	9.8	9.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293.15	0.1M HEPES pH7.5, 20% PEG1500,