2AFU

Crystal structure of human glutaminyl cyclase in complex with glutamine t-butyl ester

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	123
Detector technology	IMAGE PLATE
Collection date	2004-12-25
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.009
Spacegroup name	H 3 2
Unit cell lengths	119.137, 119.137, 332.612
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.000 - 2.220
R-factor	0.198
Rwork	0.188
R-free	0.22600
Structure solution method	MAD
RMSD bond length	0.006
RMSD bond angle	1.290
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.300
High resolution limit [Å]	2.220	2.220
Rmerge	0.064	0.478
Number of reflections	42705
<I/σ(I)>	16.2	2.2
Completeness [%]	94.3	86.3
Redundancy	3.2	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	298	ammonium sulfate, dioxane, Tris-HCl, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K
1	VAPOR DIFFUSION, HANGING DROP	7	298	ammonium sulfate, dioxane, Tris-HCl, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K
1	VAPOR DIFFUSION, HANGING DROP	7	298	ammonium sulfate, dioxane, Tris-HCl, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K