6LJC

Crystal structure of fragmin F2-F3 domains (calcium and magnesium 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	2017-11-02
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.12
Spacegroup name	P 61
Unit cell lengths	115.590, 115.590, 42.220
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	34.090 - 1.850
R-factor	0.1835
Rwork	0.182
R-free	0.20250
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ffk
RMSD bond length	0.003
RMSD bond angle	0.575
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX (1.15-3459)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	42.220	42.220	1.960
High resolution limit [Å]	1.850	5.510	1.850
Rmerge	0.069	0.020	1.094
Rmeas	0.073	0.021	1.165
Number of reflections	27718	1109	4450
<I/σ(I)>	22.43	79.89	1.97
Completeness [%]	100.0	99.2	100
Redundancy	8.571	8.324	8.457
CC(1/2)	1.000	1.000	0.741

Crystallization Conditions

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