2CE6

Structure of Helix Pomatia agglutinin with no ligands

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	2002-11-10
Detector	ADSC CCD
Spacegroup name	P 63 2 2
Unit cell lengths	61.600, 61.600, 105.000
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.570 - 2.400
R-factor	0.224
Rwork	0.222
R-free	0.26600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ccv
RMSD bond length	0.012
RMSD bond angle	1.458
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	52.490	2.430
High resolution limit [Å]	2.400	2.400
Rmerge	0.070	0.380
Number of reflections	5042
<I/σ(I)>	22.67	2.59
Completeness [%]	99.8	99.8
Redundancy	7.35	4.37

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).