1JUQ

GGA3 VHS domain complexed with C-terminal peptide from cation-dependent Mannose 6-phosphate receptor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	95
Detector technology	IMAGE PLATE
Collection date	2001-06-23
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	C 2 2 21
Unit cell lengths	123.640, 131.350, 108.140
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	90.000 * - 2.200
R-factor	0.224 *
Rwork	0.221
R-free	0.25600 *
Structure solution method	MAD/FOURIER SYNTHESIS
RMSD bond length	0.006
RMSD bond angle	18.700 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.000	2.280
High resolution limit [Å]	2.200	2.200
Rmerge	0.051	0.282
Number of reflections	43908	3823 *
<I/σ(I)>	19.5	3.97
Completeness [%]	97.6	86.7
Redundancy	3.57	2.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	Sodium/Potassium phosphate, Lithium Sulfate, CAPS, VAPOR DIFFUSION, HANGING DROP, temperature 293K
1	VAPOR DIFFUSION, HANGING DROP		293	Sodium/Potassium phosphate, Lithium Sulfate, CAPS, VAPOR DIFFUSION, HANGING DROP, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	12 (mg/ml)
2	1	drop	peptide	1.5 (mM)
3	1	reservoir	CAPS	100 (mM)	pH10.2-11.0
4	1	reservoir		200 (mM)
5	1	reservoir	sodium potassium phospahte	1.33-2 (M)