1TC0

Ligand Induced Conformational Shifts in the N-terminal Domain of GRP94, Open Conformation Complexed with the physiological partner ATP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RUH3R
Temperature [K]	103
Detector technology	IMAGE PLATE
Collection date	2003-03-20
Detector	RIGAKU RAXIS IV
Spacegroup name	H 3 2
Unit cell lengths	159.013, 159.013, 109.472
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	50.000 - 2.200
Rwork	0.226
R-free	0.26700
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.200
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.280
High resolution limit [Å]	2.200	2.200
Number of reflections	27060
<I/σ(I)>	37.7	2.3
Completeness [%]	99.6	97.3
Redundancy	5.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	291	PEG400, MgCl, Tris, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K