1QYE

Crystal Structure of the N-domain of the ER Hsp90 chaperone GRP94 in complex with 2-chlorodideoxyadenosine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 14-ID-B
Synchrotron site	APS
Beamline	14-ID-B
Temperature [K]	100
Detector technology	CCD
Collection date	2002-03-13
Detector	MARRESEARCH
Wavelength(s)	1.1808
Spacegroup name	C 2 2 21
Unit cell lengths	87.008, 98.974, 63.254
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	6.000 * - 2.100
R-factor	0.207
Rwork	0.207
R-free	0.27300 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1QY5
RMSD bond length	0.007
RMSD bond angle	1.400
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.180
High resolution limit [Å]	2.100	2.100
Rmerge	0.054	0.482
Number of reflections	16501
<I/σ(I)>	48.2	2.9
Completeness [%]	98.2	96.3
Redundancy	10.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.6	18 *	PEG 400, Magnesium chloride, Tris, pH 7.6, VAPOR DIFFUSION, HANGING DROP, temperature 291K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop		10-50 (mM)
2	1	drop	protein	30 (mg/ml)
3	1	reservoir	Tris	100 (mM)	pH7.6
4	1	reservoir		200-300 (mM)
5	1	reservoir	PEG400	35-45 (%)