6VTR

Crystal structure of G16S 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	54.010, 66.700, 71.430
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.750 - 2.300
R-factor	0.2084
Rwork	0.203
R-free	0.25580
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1bkz
RMSD bond length	0.002
RMSD bond angle	0.577
Data reduction software	MOSFLM
Data scaling software	Aimless (0.5.27)
Phasing software	PHASER (2.7.12)
Refinement software	PHENIX (dev_2481)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.750	48.750	2.010
High resolution limit [Å]	1.900	5.000	1.900
Rmerge	0.068	0.022	2.377
Rmeas	0.072	0.024	2.525
Total number of observations	184406
Number of reflections	19128	1258	1894
<I/σ(I)>	20.41	71.55	0.86
Completeness [%]	91.2	99.3	59.1
Redundancy	9.641	8.905	8.844
CC(1/2)	1.000	1.000	0.420

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 8.0, 20 % PEG 3350, 17.5 % Glycerol