4R9W

Crystal structure of platelet factor 4 complexed with fondaparinux

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X4C
Synchrotron site	NSLS
Beamline	X4C
Temperature [K]	100
Detector technology	CCD
Collection date	2013-07-28
Detector	MAR CCD 165 mm
Wavelength(s)	0.9791
Spacegroup name	P 32 2 1
Unit cell lengths	67.333, 67.333, 61.756
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	22.756 - 2.500
R-factor	0.2244
Rwork	0.224
R-free	0.24480
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.928
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX ((phenix.refine: 1.8.1_1168))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	2.820	2.540
High resolution limit [Å]	2.500	2.750	2.500
Rmerge		0.250	0.689
Number of reflections	5900
Completeness [%]	98.7	99.3	98.2
Redundancy		5.8	5.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	289	2% PEG4000, 17% MPD, 0.1 M sodium acetate pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 289K