5ULS

Structure of GRP94 in the active conformation

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	CCD
Collection date	2015-06-27
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.033
Spacegroup name	P 21 21 21
Unit cell lengths	91.131, 109.999, 157.864
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.833 - 2.622
R-factor	0.2463
Rwork	0.244
R-free	0.29840
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1yt1 2o1t
RMSD bond length	0.002
RMSD bond angle	0.595
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX (1.9_1692)
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.830	2.710
High resolution limit [Å]	2.620	2.620
Rmerge	0.047	0.488
Number of reflections	47725	4174
<I/σ(I)>	14.8	1.7
Completeness [%]	98.7	95.67
Redundancy	3.9	3.8
CC(1/2)	0.997	0.847

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.8M-1.2M NH4Cl and 8.5-11% PEG 3350