7N4O

Crystal structure of 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 21 21 21
Unit cell lengths	53.430, 64.640, 71.810
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.040 - 2.050
R-factor	0.1915
Rwork	0.185
R-free	0.25210
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1bkz
RMSD bond length	0.006
RMSD bond angle	0.749
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (2.7.12)
Refinement software	PHENIX (1.19.2-4158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.040	48.040	2.000
High resolution limit [Å]	1.890	5.000	1.890
Rmerge	0.134	0.027	2.439
Rmeas	0.145	0.029	2.627
Total number of observations	148532
Number of reflections	20513	1209	3136
<I/σ(I)>	12.87	49.7	0.88
Completeness [%]	100.0	99.7	100
Redundancy	7.241	6.691	7.297
CC(1/2)	0.998	1.000	0.324

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 , 20% Glycerol