8QC0

Nucleoside 2'deoxyribosyltransferase from Chroococcidiopsis thermalis PCC 7203 WT ribosylated

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	298
Detector technology	PIXEL
Collection date	2021-05-12
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9763
Spacegroup name	P 63
Unit cell lengths	135.240, 135.240, 87.220
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	44.270 - 2.020
R-factor	0.2152
Rwork	0.214
R-free	0.24080
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.108
Data reduction software	xia2 (3.4.2)
Data scaling software	xia2 (3.4.2)
Phasing software	PHENIX (1.19.2-4158)
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	53.500	2.050
High resolution limit [Å]	2.020	2.020
Rmerge	0.192	5.534
Rmeas	0.194
Rpim	0.031	0.862
Number of reflections	59536	2939
<I/σ(I)>	15.6	0.5
Completeness [%]	100.0	100
Redundancy	39.2	42.1
CC(1/2)	0.999	0.286

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293.15	21.43% v/v PEG 6000; 0.1 M Tris pH 8; 0.5 M Zinc chloride