6DO2

Crystal structure of human GRP78 in complex with 7-deaza-2'-C-methyladenosine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-06-16
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.62 - 2.5
Spacegroup name	P 1 21 1
Unit cell lengths	55.410, 75.020, 89.480
Unit cell angles	90.00, 99.11, 90.00

Refinement procedure

Resolution	24.890 - 1.700
R-factor	0.208
Rwork	0.207
R-free	0.23200
Data reduction software	XDS
Phasing software	BUSTER
Refinement software	BUSTER (2.10.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.800
High resolution limit [Å]	1.700	1.700
Number of reflections	79463
<I/σ(I)>	15.72
Completeness [%]	99.3
Redundancy	4.45

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	24 to 26% PEG 3350, 0.1 M Tris-HCl and 0.2 M NaCl (by microseeding with the initial crystals from 0.1 M Tris- HCl pH 8.5, 25% PEG 3350 and 0.1 M Na/K tartrate)