8JKK

Crystal Structure of the dioxygenase CcTet from Coprinopsis cinerea bound to 12bp 5-methylcytosine (5mC) containing duplex DNA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-05-03
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9875
Spacegroup name	P 21 21 21
Unit cell lengths	86.569, 127.631, 212.236
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	21.980 - 2.300
R-factor	0.1884
Rwork	0.187
R-free	0.21620
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.016
RMSD bond angle	1.628
Data reduction software	HKL-3000
Data scaling software	HKL-3000
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	2.380
High resolution limit [Å]	2.300	4.950	2.300
Rmerge	0.183	0.087	1.342
Rmeas	0.190	0.091	1.394
Rpim	0.052	0.026	0.375
Total number of observations	1404090
Number of reflections	104573	10917	10318
<I/σ(I)>	3.6
Completeness [%]	99.7	99.5	99.8
Redundancy	13.4	12.8	13.6
CC(1/2)	0.980	0.979	0.839

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	0.2M NaCl, 20% PEG 6000