4USP

X-ray structure of the dimeric CCL2 lectin in native form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM30A
Synchrotron site	ESRF
Beamline	BM30A
Temperature [K]	100
Detector technology	CCD
Collection date	2014-04-07
Detector	MARRESEARCH
Spacegroup name	P 41 21 2
Unit cell lengths	59.921, 59.921, 202.907
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.850 - 2.250
R-factor	0.17414
Rwork	0.172
R-free	0.20997
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4uso
RMSD bond length	0.015
RMSD bond angle	1.694
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.850	2.330
High resolution limit [Å]	2.250	2.250
Rmerge	0.090	0.540
Number of reflections	18296
<I/σ(I)>	15.7	3.7
Completeness [%]	99.5	99.8
Redundancy	5.6	5.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7.5		MIDAS 1-14 15% PENTAERYTHRITOL PROPOXYLATE 5/4 PO/OH 0.1M HEPES 7.50 0.2M SODIUM THIOCYANATE