7TKW

Crystal structure of R14A human Galectin-7 mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-06-09
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97952
Spacegroup name	P 21 21 21
Unit cell lengths	53.750, 64.950, 70.410
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.740 - 1.850
R-factor	0.1947
Rwork	0.193
R-free	0.23090
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1bkz
RMSD bond length	0.008
RMSD bond angle	1.046
Data reduction software	MOSFLM
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER (2.7.12)
Refinement software	PHENIX (1.19.2)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	53.750	53.770	1.920
High resolution limit [Å]	1.850	3.990	1.850
Rmerge	0.692	0.695	0.888
Rmeas	0.724	0.728	0.927
Rpim	0.208	0.212	0.264
Number of reflections	21688	2333	2125
<I/σ(I)>	142.7	568.1	12.8
Completeness [%]	100.0	100	100
Redundancy	12.1	11.5	12.1
CC(1/2)	0.711	0.610	0.712

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	295.15	0.2 M Sodium chloride, 0.1 M Tris 8.0, 20 % w/v PEG 6000