2CGY

STRUCTURE OF HELIX POMATIA AGGLUTININ WITH FORSMANN ANTIGEN

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-2
Synchrotron site	ESRF
Beamline	ID14-2
Temperature [K]	100
Detector technology	CCD
Collection date	2000-04-08
Detector	ADSC CCD
Spacegroup name	P 63 2 2
Unit cell lengths	62.019, 62.019, 106.642
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 2.800
R-factor	0.265
Rwork	0.262
R-free	0.32000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ce6
RMSD bond length	0.008
RMSD bond angle	1.242
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC (5.1.24)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.900
High resolution limit [Å]	2.800	2.800
Rmerge	0.070	0.360
Number of reflections	2945
<I/σ(I)>	17.1	4
Completeness [%]	87.9	93.5
Redundancy	7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP			HANGING DROP METHOD WITH PRECIPITATION SOLUTION CONTAINING LITHIUM SULPHATE (2 M) AND AMMONIUM SULPHATE (3.5 M) IN SODIUM CITRATE BUFFER (1.5M, PH 6.5) AND 10MM OF FORSMANN LIGAND.