4WMQ

Structure of Human Intelectin-1

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 21 3
Unit cell lengths	118.450, 118.450, 118.450
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	21.996 - 1.800
R-factor	0.1346
Rwork	0.133
R-free	0.16390
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4wmo
RMSD bond length	0.010
RMSD bond angle	1.107
Data scaling software	SCALEPACK
Phasing software	PHASER (2.5.2)
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	22.200	22.200	1.860
High resolution limit [Å]	1.800	3.870	1.800
Rmerge	0.119	0.062	0.495
Rmeas	0.125	0.065	0.521
Rpim	0.037	0.020	0.162
Total number of observations	573173
Number of reflections	51379
<I/σ(I)>	5.8
Completeness [%]	100.0	100	100
Redundancy	11.2	11	10.1
CC(1/2)		0.997	0.926

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	298	100 mM Bis-Tris, 25% PEG 3350