6V7J

The C2221 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	C 2 2 21
Unit cell lengths	136.347, 149.247, 128.046
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.010 - 2.000
R-factor	0.1982
Rwork	0.196
R-free	0.24740
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1cax
RMSD bond length	0.006
RMSD bond angle	1.345
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]	50.010	2.030
High resolution limit [Å]	2.000	2.000
Rmerge	0.164
Rmeas	0.176
Rpim	0.052
Number of reflections	72246	2336
<I/σ(I)>	5.8	0.6
Completeness [%]	82.0	43.4
Redundancy	9.2	4.6
CC(1/2)	0.993	0.133

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	298	Vapor diffusion in Cryschem sitting drop plates at room temperature. Reservoirs were Dulbeccos Phosphate buffered saline at pH 6.5. Drops were equal amounts of the reservoir and a 40 mg/ml solution of the protein dissolved in water with a trace of ammonium hydroxide. Crystallization time was 24 to 48 hours.