1XQN

The 15k neutron structure of saccharide-free concanavalin A

Experimental procedure

Experimental method	QUASI LAUE
Temperature [K]	15
Detector technology	IMAGE PLATE
Collection date	2000-11-16
Wavelength(s)	2.8-3.8
Spacegroup name	I 2 2 2
Unit cell lengths	89.160, 86.129, 61.594
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.820 - 2.500
R-factor	0.266
Rwork	0.266
R-free	0.32000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1.65A X-ray model of D20-grown saccharide-free concacanavalin A at 100K
RMSD bond length	0.006
RMSD bond angle	1.600
Data reduction software	SCALA
Data scaling software	CCP4 ((SCALA))
Phasing software	CNS (1.1)
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	32.820	2.640
High resolution limit [Å]	2.500	2.500
Rmerge	0.235	0.358
Number of reflections	6339
<I/σ(I)>	5.6	2.3
Completeness [%]	74.4	54.2
Redundancy	4.7	2.6

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 (all in D2O), pH 6.50, BATCH DIALYSIS, temperature 293.0K