7N8G

Crystal structure of R20A-R22A 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	53.240, 64.960, 72.160
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.280 - 1.950
R-factor	0.169
Rwork	0.167
R-free	0.20430
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1bkz
RMSD bond length	0.008
RMSD bond angle	1.039
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]	48.290	48.290	2.020
High resolution limit [Å]	1.950	4.200	1.950
Rmerge	0.070	0.057	0.229
Rmeas	0.074	0.060	0.242
Rpim	0.024	0.020	0.076
Number of reflections	18712	2018	1791
<I/σ(I)>	22.6	34.2	10
Completeness [%]	99.5	99.9	98.8
Redundancy	9.7	9.1	9.9
CC(1/2)	0.998	0.998	0.986

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