6C91

Structure of GRP94 with a resorcinylic inhibitor.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-ID
Synchrotron site	APS
Beamline	17-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-10-14
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0001
Spacegroup name	P 43 21 2
Unit cell lengths	95.050, 95.050, 178.589
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.605 - 2.895
R-factor	0.2004
Rwork	0.196
R-free	0.24120
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.035
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.12rc0_2784: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.950
High resolution limit [Å]	2.895	2.895
Rmerge	0.081
Number of reflections	18991
<I/σ(I)>	38.4
Completeness [%]	100.0
Redundancy	19.1
CC(1/2)		0.797

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	Ammonium Sulfate, Tris