2FAW

crystal structure of papaya glutaminyl cyclase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM14
Synchrotron site	ESRF
Beamline	BM14
Temperature [K]	100
Detector technology	CCD
Collection date	2004-07-07
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.953718, 1.77122
Spacegroup name	P 21 21 21
Unit cell lengths	62.820, 81.200, 108.170
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.537 - 1.700
Rwork	0.165
R-free	0.20800
Structure solution method	SAD
RMSD bond length	0.020
RMSD bond angle	1.933
Data reduction software	SCALE
Data scaling software	XDS
Phasing software	SHARP
Refinement software	REFMAC (5.1.24)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.537	1.800
High resolution limit [Å]	1.700	1.700
Number of reflections	61500
<I/σ(I)>	41.6	15.3
Completeness [%]	99.9	100
Redundancy	28.9	29.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	85 mM Tris-HCl, 0.17 M sodium acetate, 25% PEG 4000, 15% glycerol, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K