8PQT

Nucleoside 2'deoxyribosyltransferase from Chroococcidiopsis thermalis PCC 7203 WT bound to Bis-Tris

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	298
Detector technology	PIXEL
Collection date	2021-03-11
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9795
Spacegroup name	P 62 2 2
Unit cell lengths	131.189, 131.189, 86.940
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	69.040 - 1.700
R-factor	0.1923
Rwork	0.191
R-free	0.22510
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.042
RMSD bond angle	1.708
Data reduction software	xia2 (3.3.4)
Data scaling software	xia2 (3.3.4)
Phasing software	PHENIX (1.19.2-4158)
Refinement software	PHENIX ((1.19.2_4158: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	113.610	1.730
High resolution limit [Å]	1.700	1.700
Rmerge	0.145	1.626
Rmeas	0.146	1.654
Rpim	0.020	0.299
Number of reflections	48818	2409
<I/σ(I)>	19.6	1.3
Completeness [%]	100.0	100
Redundancy	50.9	29.5
CC(1/2)	1.000	0.955

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293.15	9.8 mg/ml enzyme; 22.5% v/v PEG Smear Broad; 0.1 M Bis-Tris pH 7.5; 0.05 M Zinc acetate dihydrate; 0.2 M Lithium sulfate