1JYI

CONCANAVALIN A/12-MER PEPTIDE COMPLEX

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Detector technology	IMAGE PLATE
Detector	MARRESEARCH
Wavelength(s)	1.54178
Spacegroup name	C 2 2 21
Unit cell lengths	102.545, 118.323, 252.591
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 2.750
Rwork	0.192
R-free	0.26500
Starting model (for MR)	5cna
RMSD bond length	0.009 *
RMSD bond angle	1.632 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (0.5)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	10.000	10.000
High resolution limit [Å]	2.750	2.750
Rmerge	0.067 *
Total number of observations	47255 *
Number of reflections	34767
<I/σ(I)>	6
Completeness [%]	86.4	67.5 *
Redundancy	3.0 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	9 *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	peptide	0.32 (mM)
2	1	reservoir	ammonium sulfate	1 (M)
3	1	reservoir	Tris	50 (mM)	pH9.0