8PQS

Nucleoside 2'deoxyribosyltransferase from Chroococcidiopsis thermalis PCC 7203 E88A Mutant

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	135.630, 135.630, 87.560
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	44.400 - 1.950
R-factor	0.199
Rwork	0.198
R-free	0.22370
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.873
Data reduction software	xia2 (3.4.2)
Data scaling software	xia2 (3.4.2)
Phasing software	PHENIX (1.19.1-4158)
Refinement software	PHENIX ((1.19.1-4158))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	70.210	1.920
High resolution limit [Å]	1.890	1.890
Rmerge	0.294	5.938
Rmeas	0.030	6.026
Number of reflections	73355	3617
<I/σ(I)>	6.4	0.2
Completeness [%]	100.0	98.61
Redundancy	38.7	34.7
CC(1/2)	0.999	0.343

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	21.43% PEG 6000; 0.1 M Tris; 0.5 M Zinc Chloride