5H9Q

Crystal Structure of Human Galectin-7 in Complex with TD139

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL15A1
Synchrotron site	NSRRC
Beamline	BL15A1
Temperature [K]	100
Detector technology	CCD
Collection date	2013-05-24
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	53.896, 64.426, 70.616
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.651 - 1.931
R-factor	0.194
Rwork	0.189
R-free	0.23850
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1bkz
RMSD bond length	0.005
RMSD bond angle	1.001
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.000
High resolution limit [Å]	1.930	1.930
Rmerge	0.036	0.152
Number of reflections	19082
<I/σ(I)>	44.9	11.86
Completeness [%]	99.6	96.5
Redundancy	6	6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	298	0.22 M Mg Acetate, 21% (w/v) PEG3350