4WMO

Selenomethionine derivative of Xenopus laevis embryonic epidermal lectin carbohydrate-binding domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2014-05-31
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97924
Spacegroup name	P 1 21 1
Unit cell lengths	123.654, 111.069, 123.611
Unit cell angles	90.00, 119.72, 90.00

Refinement procedure

Resolution	30.087 - 2.300
R-factor	0.1612
Rwork	0.160
R-free	0.18810
Structure solution method	SAD
RMSD bond length	0.011
RMSD bond angle	1.170
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.400	30.400	2.380
High resolution limit [Å]	2.300	4.950	2.300
Rmerge		0.098	0.625
Rmeas	0.180	0.105	0.670
Rpim	0.065	0.039	0.241
Total number of observations	991049
Number of reflections	129043
<I/σ(I)>	4.1		2.6
Completeness [%]	100.0	99.9	100
Redundancy	7.7	7.4	7.7
CC(1/2)		0.994	0.897

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	298	100 mM Tris-HCl, 20-24% PEG 400