7TKY

Crystal structure of D94A 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 21 21 21
Unit cell lengths	53.970, 66.830, 69.490
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.170 - 2.530
R-factor	0.2317
Rwork	0.226
R-free	0.28320
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1bkz
RMSD bond length	0.007
RMSD bond angle	1.032
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]	48.180	48.180	2.620
High resolution limit [Å]	2.530	5.450	2.530
Rmerge	0.179	0.055	1.370
Rmeas	0.189	0.059	1.446
Rpim	0.061	0.019	0.459
Number of reflections	8822	961	858
<I/σ(I)>	11.9	28.9	1.9
Completeness [%]	100.0	100	100
Redundancy	9.6	8.7	9.8
CC(1/2)	0.997	0.999	0.623

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295.15	0.1 M NaCl, 0.1 M Tris pH 8, 20 % PEG 6000, 15% Glycerol