2AFO

Crystal structure of human glutaminyl cyclase at pH 8.0

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL12B2
Synchrotron site	SPring-8
Beamline	BL12B2
Temperature [K]	123
Detector technology	CCD
Collection date	2004-11-21
Detector	ADSC QUANTUM 4
Wavelength(s)	1.009
Spacegroup name	H 3 2
Unit cell lengths	118.988, 118.988, 332.258
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.000 - 2.350
R-factor	0.195
Rwork	0.185
R-free	0.21600
Structure solution method	MAD
RMSD bond length	0.006
RMSD bond angle	1.300
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]	30.000	2.430
High resolution limit [Å]	2.350	2.350
Rmerge	0.075	0.496
Number of reflections	37941
<I/σ(I)>	23.8	3.6
Completeness [%]	99.2	99.7
Redundancy	4.2	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	298	ammonium sulfate, dioxane, Tris-HCl, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K
1	VAPOR DIFFUSION, HANGING DROP	8	298	ammonium sulfate, dioxane, Tris-HCl, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K
1	VAPOR DIFFUSION, HANGING DROP	8	298	ammonium sulfate, dioxane, Tris-HCl, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K