2AFZ

Crystal structure of human glutaminyl cyclase in complex with 1-vinylimidazole

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-6A
Synchrotron site	Photon Factory
Beamline	BL-6A
Temperature [K]	123
Detector technology	CCD
Collection date	2004-06-13
Detector	ADSC QUANTUM 4
Wavelength(s)	0.9750
Spacegroup name	H 3 2
Unit cell lengths	118.953, 118.953, 332.997
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	50.000 - 1.680
R-factor	0.196
Rwork	0.186
R-free	0.21200
Structure solution method	MAD
RMSD bond length	0.013
RMSD bond angle	1.820
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.740
High resolution limit [Å]	1.680	1.680
Rmerge	0.047	0.490
Number of reflections	102772
<I/σ(I)>	32.9	2.4
Completeness [%]	99.4	99.1
Redundancy	4.6	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	298	ammonium sulfate, dioxane, MES, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K
1	VAPOR DIFFUSION, HANGING DROP	6.5	298	ammonium sulfate, dioxane, MES, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K
1	VAPOR DIFFUSION, HANGING DROP	6.5	298	ammonium sulfate, dioxane, MES, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K