2AFW

Crystal structure of human glutaminyl cyclase in complex with N-acetylhistamine

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	119.132, 119.132, 332.826
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	50.000 - 1.560
R-factor	0.199
Rwork	0.189
R-free	0.21300
Structure solution method	MAD
RMSD bond length	0.015
RMSD bond angle	1.670
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	1.620
High resolution limit [Å]	1.560	1.560
Rmerge	0.044	0.498
Number of reflections	128907
<I/σ(I)>	60.1	4.3
Completeness [%]	99.8	100
Redundancy	9.5	7.9

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