7CP0

Crystal Structure of double mutant Y115E Y117E human Secretory Glutaminyl Cyclase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL26B2
Synchrotron site	SPring-8
Beamline	BL26B2
Temperature [K]	100
Detector technology	CCD
Collection date	2017-07-21
Detector	RAYONIX MX-225
Wavelength(s)	1
Spacegroup name	C 1 2 1
Unit cell lengths	86.277, 149.383, 96.032
Unit cell angles	90.00, 96.91, 90.00

Refinement procedure

Resolution	43.050 - 1.700
R-factor	0.2063
Rwork	0.205
R-free	0.22280
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ywy
Data reduction software	XDS
Data scaling software	Aimless (0.5.21)
Phasing software	PHASER (2.6.1)
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	43.050	43.050	1.730
High resolution limit [Å]	1.700	9.310	1.700
Rmerge	0.090	0.043	0.530
Total number of observations	494444	3008	24609
Number of reflections	131782	825	6571
<I/σ(I)>	10.6	25.9	2.8
Completeness [%]	99.8	98.5	99.9
Redundancy	3.8	3.6	3.7
CC(1/2)	0.996	0.996	0.804

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	277.15	100 mM MES buffer pH 6.5, 46-67 mM NaOH, 100 mM ammonium sulfate