7TRN

Crystal structure of R14A-R20A human Galectin-7 mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08B1-1
Synchrotron site	CLSI
Beamline	08B1-1
Temperature [K]	100
Detector technology	CCD
Collection date	2019-02-19
Detector	RAYONIX MX300HE
Wavelength(s)	1.0332
Spacegroup name	P 1
Unit cell lengths	36.050, 53.640, 69.370
Unit cell angles	87.46, 79.03, 84.84

Refinement procedure

Resolution	41.460 - 1.950
R-factor	0.1968
Rwork	0.195
R-free	0.22540
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1bkz
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (2.7.12)
Refinement software	PHENIX (1.19.2)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	42.610	42.610	2.020
High resolution limit [Å]	1.950	4.200	1.950
Rmerge	0.049	0.024	0.291
Rmeas	0.063	0.031	0.372
Rpim	0.039	0.019	0.230
Number of reflections	31452	3474	1659
<I/σ(I)>	16.1	33.4	3.6
Completeness [%]	84.9	93.7	44.8
Redundancy	2.6	2.7	2.5
CC(1/2)	0.997	0.998	0.874

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	295.15	0.1 M NaCl, 0.1 M Tris pH 8, 20 % PEG 6000, 17.5% Glycerol