8PQP

Nucleoside 2'deoxyribosyltransferase from Chroococcidiopsis thermalis PCC 7203 D62N Mutant bound to ImmH-Forodesine

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	2022-05-31
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9795
Spacegroup name	P 32 2 1
Unit cell lengths	93.573, 93.573, 63.124
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.799 - 1.709
R-factor	0.1879
Rwork	0.187
R-free	0.21220
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.838
Data scaling software	autoPROC (1.0.5)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.19.2-4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.800	1.740
High resolution limit [Å]	1.709	1.710
Rmerge	0.049	1.094
Rmeas	0.050	2.464
Number of reflections	34700	1649
<I/σ(I)>	21.8	0.5
Completeness [%]	99.6	95.5
Redundancy	16.7	6.5
CC(1/2)	1.000	0.400

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293.15	28% v/v PEG Smear Broad; 0.1 M Sodium Phosphate pH 6.2; 0.2 M Sodium Chloride