8VPL

Glutaminyl cyclase ApgG, diamond shape

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2022-07-18
Detector	MAR scanner 300 mm plate
Wavelength(s)	0.9787
Spacegroup name	P 31 2 1
Unit cell lengths	70.266, 70.266, 145.174
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.630 - 1.840
R-factor	0.2414
Rwork	0.240
R-free	0.26010
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.182
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.630	46.630	1.950
High resolution limit [Å]	1.840	5.490	1.840
Rmerge	0.042	0.035	0.729
Rmeas	0.047	0.039	0.802
Number of reflections	69327	2609	11157
<I/σ(I)>	19.23
Completeness [%]	99.9
Redundancy	10.9
CC(1/2)	0.999	0.997	0.777

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	Bis-Tris (pH 6.5), PEG 10000, and 0.2 M Potassium sodium tartrate tetrahydrate