6QQL

Crystal structure of Porphyromonas gingivalis glutaminyl cyclase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	100
Detector technology	CCD
Collection date	2016-05-19
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.5418
Spacegroup name	P 31 2 1
Unit cell lengths	89.904, 89.904, 164.696
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	44.952 - 2.814
R-factor	0.2197
Rwork	0.217
R-free	0.27570
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3si0
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (2.5.7)
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	44.952	44.952	2.980
High resolution limit [Å]	2.810	8.310	2.810
Rmerge	0.335	0.076	1.068
Rmeas	0.391	0.088	1.242
Number of reflections	35878	1400	5794
<I/σ(I)>	4.41	14.4	1.25
Completeness [%]	99.3	99.1	98.7
Redundancy	3.935	3.946	3.9
CC(1/2)	0.928	0.994	0.444

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	288.15	HEPES pH 8.0, PEG 400, ammonium sulfate