6LJD

Crystal structure of fragmin F2-F3 domains (calcium condition)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AichiSR BEAMLINE BL2S1
Synchrotron site	AichiSR
Beamline	BL2S1
Temperature [K]	95
Detector technology	CCD
Collection date	2017-10-20
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.12
Spacegroup name	P 61
Unit cell lengths	115.830, 115.830, 42.110
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	38.830 - 2.150
R-factor	0.194
Rwork	0.193
R-free	0.21880
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ffk
RMSD bond length	0.005
RMSD bond angle	0.704
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX (1.15)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	42.113	42.113	2.280
High resolution limit [Å]	2.150	6.380	2.150
Rmerge	0.097	0.031	1.045
Rmeas	0.103	0.033	1.113
Number of reflections	17807	736	2862
<I/σ(I)>	16.13	50.79	2.04
Completeness [%]	100.0	99.6	100
Redundancy	8.553	8.158	8.502
CC(1/2)	0.999	0.999	0.750

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	PEG3350, ammonium sulphate, calcium chloride