7VPN

Crystal Structure of the dioxygenase CcTet from Coprinopsis cinereain in complex with Mn(II) and N-Oxalylglycine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-06-13
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9785
Spacegroup name	P 64
Unit cell lengths	219.804, 219.804, 77.751
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.160 - 2.600
R-factor	0.2196
Rwork	0.217
R-free	0.26620
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4nm6
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.640
High resolution limit [Å]	2.600	7.050	2.600
Rmerge	0.304	0.292	2.205
Rmeas	0.319	0.306	2.305
Rpim	0.094	0.091	0.668
Total number of observations	757847
Number of reflections	66088	3440	3274
<I/σ(I)>	5
Completeness [%]	100.0	100	100
Redundancy	11.5	11.2	11.8
CC(1/2)		0.940	0.415

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		292	20 mM Sodium formate, 10% PEG 8000