6JWF

Holo form of Pyranose Dehydrogenase PQQ domain from Coprinopsis cinerea

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL41XU
Synchrotron site	SPring-8
Beamline	BL41XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-07-27
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.9
Spacegroup name	P 21 21 21
Unit cell lengths	85.330, 95.638, 106.204
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	71.070 - 1.300
R-factor	0.16
Rwork	0.160
R-free	0.17700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6jt5
Data reduction software	XDS
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.000	1.380
High resolution limit [Å]	1.300	1.300
Rmerge	0.067	0.543
Number of reflections	213104	33130
<I/σ(I)>	15	2.99
Completeness [%]	99.4	96.3
Redundancy	7.4	7.2
CC(1/2)	0.999	0.863

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE	5	277	5mM sodium acetate