9GN4

Nucleoside-2'-deoxyribosyltransferase from Lactobacillus leichmannii. Y7F/D72N mutant with cytidine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	120
Detector technology	PIXEL
Collection date	2024-06-26
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.976277
Spacegroup name	I 21 3
Unit cell lengths	150.134, 150.134, 150.134
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	61.370 - 2.480
R-factor	0.16446
Rwork	0.163
R-free	0.18773
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.700
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0430)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	61.370	2.580
High resolution limit [Å]	2.480	2.480
Rmerge	0.160	1.560
Rpim	0.140	0.340
Number of reflections	20103	2256
<I/σ(I)>	26.1	3.9
Completeness [%]	100.0
Redundancy	41.6
CC(1/2)	1.000	0.900

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	298	25% tascimate, pH 7.0