1U2O

Crystal Structure Of The N-Domain Of Grp94 Lacking The Charged Domain In Complex With Neca

Replaces:  1QYH

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	113
Detector technology	IMAGE PLATE
Collection date	2002-07-09
Detector	RIGAKU RAXIS IIC
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	65.300, 84.200, 94.091
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.100
R-factor	0.213
Rwork	0.213
R-free	0.25700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1QY5
RMSD bond length	0.005
RMSD bond angle	1.300
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
Number of reflections	27334
<I/σ(I)>	40.4	4.54
Completeness [%]	87.8	50.2
Redundancy	6.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.6	291	PEG 400, MAGNESIUM CHLORIDE, TRIS, pH 7.6, VAPOR DIFFUSION, HANGING DROP, temperature 291K