6V7L

The structure of the P212121 crystal form of canavalin at 173 K

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	173
Detector technology	PIXEL
Collection date	2018-06-15
Detector	DECTRIS PILATUS3 R CdTe 300K
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	85.889, 90.511, 183.739
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 2.800
R-factor	0.1962
Rwork	0.193
R-free	0.25200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1cax
RMSD bond length	0.005
RMSD bond angle	1.285
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0253)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	60.000	2.850
High resolution limit [Å]	2.750	2.750
Rmerge	0.282
Rmeas	0.290
Rpim	0.070
Number of reflections	28813	2131
<I/σ(I)>	9.9	0.4
Completeness [%]	73.4	8.8
Redundancy	17.2	2.3
CC(1/2)	0.998	0.025

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	298	Crystals were grown by sitting drop vapor diffusion from 18% PEG 3350 in 0.1 M HEPES reservoirs. The drops were equal amounts of a 40 mg/ml solution of precanavalin (not treated with any exogenous protease) in water. Crystals grew only after six to eight weeks at room temperature.