6GXS

Crystal structure of CV39L lectin from Chromobacterium violaceum at 1.8 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-10-31
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.967
Spacegroup name	P 21 21 21
Unit cell lengths	65.709, 123.781, 180.935
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	73.040 - 1.800
R-factor	0.15458
Rwork	0.153
R-free	0.18852
Structure solution method	SAD
RMSD bond length	0.023
RMSD bond angle	2.014
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	80.930	1.900
High resolution limit [Å]	1.800	1.800
Rmerge	0.102	0.363
Number of reflections	137285	19822
<I/σ(I)>	14.7	4.9
Completeness [%]	100.0	100
Redundancy	7.5	7.5
CC(1/2)	0.999	0.953

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	290	0.1 M sodium acetate, 25% PEG 4000, 0.2M ammonium sulphate, pH 4.6