2O1T

Structure of Middle plus C-terminal domains (M+C) of GRP94

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2006-04-08
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97931
Spacegroup name	P 1 21 1
Unit cell lengths	131.300, 129.540, 184.780
Unit cell angles	90.00, 99.91, 90.00

Refinement procedure

Resolution	20.000 - 3.200
R-factor	0.28492
Rwork	0.284
R-free	0.29373
Structure solution method	MAD
RMSD bond length	0.009
RMSD bond angle	1.307
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	SHELXCD
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.600	3.280
High resolution limit [Å]	3.200	3.200
Number of reflections	100423
<I/σ(I)>	14	2
Completeness [%]	99.7	99.4
Redundancy	5.1	3.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	291	13-18% v/v 2-methyl-2,4-pentanediol (MPD), 2-5% w/v PEG 6000, and 0.1M bis-tris, pH 6.0 , VAPOR DIFFUSION, HANGING DROP, temperature 291K
1	VAPOR DIFFUSION, HANGING DROP	6	291	13-18% v/v 2-methyl-2,4-pentanediol (MPD), 2-5% w/v PEG 6000, and 0.1M bis-tris, pH 6.0 , VAPOR DIFFUSION, HANGING DROP, temperature 291K
1	VAPOR DIFFUSION, HANGING DROP	6	291	13-18% v/v 2-methyl-2,4-pentanediol (MPD), 2-5% w/v PEG 6000, and 0.1M bis-tris, pH 6.0 , VAPOR DIFFUSION, HANGING DROP, temperature 291K