4TPV

Crystal Structure of Hookworm Platelet Inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2012-04-12
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97931
Spacegroup name	P 1 21 1
Unit cell lengths	39.158, 51.985, 73.940
Unit cell angles	90.00, 90.05, 90.00

Refinement procedure

Resolution	28.800 - 1.600
R-factor	0.1523
Rwork	0.150
R-free	0.19360
RMSD bond length	0.008
RMSD bond angle	1.091
Phasing software	PHASER (2.1.4)
Refinement software	PHENIX ((phenix.refine: 1.8.4_1496))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.800	1.630
High resolution limit [Å]	1.600	1.600
Rmerge	0.076	0.327
Number of reflections	39309
<I/σ(I)>	11.1	3.4
Completeness [%]	99.2	92.1
Redundancy	4.4	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	30 % PEG 6000, 0.1 M HEPES, pH 7.0