9EMW

Nucleoside 2'deoxyribosyltransferase from Chroococcidiopsis thermalis PCC 7203 Y7F 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 63
Unit cell lengths	135.760, 135.760, 87.550
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.800 - 2.510
R-factor	0.2126
Rwork	0.210
R-free	0.26270
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.622
Data reduction software	xia2 (3.10.dev0)
Data scaling software	DIALS (3.dev)
Phasing software	PHENIX (1.19.2-4158)
Refinement software	PHENIX ((1.21.2_5419: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	70.210	2.480
High resolution limit [Å]	2.440	2.440
Rmerge	0.160	1.833
Rmeas	0.165	2.036
Rpim	0.038	0.859
Number of reflections	33966	1529
<I/σ(I)>	9.4	0.3
Completeness [%]	99.1
Redundancy	16.1
CC(1/2)	0.997	0.295

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293.15	0.1 M Tris pH 8.0, 0.002 M Zinc chloride, 20% w/v PEG6000