6D1X

N-Domain Of Grp94, with the Charged Domain, In Complex With the Novel Ligand N-Propyl Carboxyamido Adenosine

Replaces:  1U0Y

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2003-11-15
Detector	RIGAKU RAXIS IIC
Wavelength(s)	1.5418
Spacegroup name	C 2 2 21
Unit cell lengths	89.467, 99.654, 63.191
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.140 - 2.300
R-factor	0.1803
Rwork	0.174
R-free	0.23820
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1u07
RMSD bond length	0.007
RMSD bond angle	0.889
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.380
High resolution limit [Å]	2.299	2.299
Number of reflections	11858	1183
<I/σ(I)>	20	2.98
Completeness [%]	91.8	93.6
Redundancy	2.6	2.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.6	291	PEG400, MgCl, Tris, pH 7.6, VAPOR DIFFUSION, HANGING DROP, temperature 291K