3NWK

A second C2221 form of concanavalin A (Canavalia ensiformis)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2009-06-14
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97856
Spacegroup name	C 2 2 21
Unit cell lengths	101.518, 118.118, 250.113
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.660 - 2.090
R-factor	0.1783
Rwork	0.176
R-free	0.21191
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1nls
RMSD bond length	0.018
RMSD bond angle	1.584
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.130
High resolution limit [Å]	2.090	2.090
Rmerge	0.116	0.463
Number of reflections	87288
<I/σ(I)>	16.71	2.06
Completeness [%]	98.3	81.3
Redundancy	6.8	3.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	hanging drop vapor diffusion using polymer-induced heteronucleation	8.5	273	10 mM Tris, pH 8.5, 1 M ammonium sulfate, hanging drop vapor diffusion using polymer-induced heteronucleation, temperature 273K