6QRO

Crystal structure of Tannerella forsythia 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	2015-09-21
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.5418
Spacegroup name	P 1
Unit cell lengths	56.070, 79.240, 83.080
Unit cell angles	89.94, 90.00, 71.94

Refinement procedure

Resolution	43.920 - 2.100
R-factor	0.1795
Rwork	0.174
R-free	0.20110
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2afm
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	43.920	43.920	2.200
High resolution limit [Å]	2.100	10.000	2.100
Rmerge	0.125	0.029	0.460
Rmeas	0.147	0.034	0.582
Total number of observations	273764
Number of reflections	76211	710	7893
<I/σ(I)>	10.15	34.24	2.44
Completeness [%]	96.0	96.5	76.5
Redundancy	3.592	3.713	2.645
CC(1/2)	0.989	0.999	0.636

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	288.15	sodium acetate, ammonium sulfate