5EOK

Human Plasma Coagulation Factor XI in complex with peptide P39

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	80
Detector technology	PIXEL
Collection date	2014-12-04
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9
Spacegroup name	P 43 21 2
Unit cell lengths	81.330, 81.330, 252.219
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.470 - 2.800
R-factor	0.20461
Rwork	0.201
R-free	0.26412
RMSD bond length	0.014
RMSD bond angle	1.762
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.470	2.950
High resolution limit [Å]	2.800	2.800
Rmerge	0.089	0.475
Number of reflections	20795
<I/σ(I)>	17.1
Completeness [%]	95.2	72.9
Redundancy	8.3	3.5

Crystallization Conditions

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