5ZC0

Crystal structure of Xenopus embryonic epidermal lectin in complex with Samarium ions

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)	1.26522
Spacegroup name	P 1 21 1
Unit cell lengths	124.300, 111.410, 124.360
Unit cell angles	90.00, 119.94, 90.00

Refinement procedure

Resolution	34.188 - 2.750
R-factor	0.1986
Rwork	0.196
R-free	0.23800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4wn0
RMSD bond length	0.024
RMSD bond angle	1.675
Data reduction software	iMOSFLM
Data scaling software	Aimless (0.5.17)
Phasing software	PHASER (2.6.0)
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	34.190	34.190	2.810
High resolution limit [Å]	2.750	13.470	2.750
Rmerge	0.460	0.100	1.848
Rmeas	0.493	0.109	1.987
Rpim	0.178	0.042	0.727
Number of reflections	146681	636	4543
<I/σ(I)>	6.3
Completeness [%]	97.7	92.9	97
Redundancy	7.7	6.8	7.5
CC(1/2)	0.959	0.991	0.551

Crystallization Conditions

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