2YZ4

The neutron structure of concanavalin A at 2.2 Angstroms

Experimental procedure

Experimental method	LAUE
Temperature [K]	293
Detector technology	LADI
Collection date	2005-06-01
Detector	IMAGE PLATE
Wavelength(s)	2.9-3.9
Spacegroup name	I 2 2 2
Unit cell lengths	89.377, 87.314, 63.051
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.640 - 2.200
R-factor	0.281
Rwork	0.279
R-free	0.31200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1nls
RMSD bond length	0.015
RMSD bond angle	2.200
Data reduction software	LAUEGEN
Data scaling software	SCALA
Phasing software	CNS (1.1)
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	33.653	33.650	2.320
High resolution limit [Å]	2.181	6.960	2.200
Rmerge	0.213	0.114	0.314
Total number of observations		2147	3484
Number of reflections	8512
<I/σ(I)>	2.8	4.5	1.9
Completeness [%]	67.2	94.3	46.9
Redundancy	6.2	5.2	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH DIALYSIS	6.5	293	0.1M NaNO3, 0.05M Tris-acetate, 1mM MnCl2, 1mM CaCl2, pH 6.5, BATCH DIALYSIS, temperature 293K