8RH3

Nucleoside 2'deoxyribosyltransferase from Chroococcidiopsis thermalis PCC 7203 WT bound to Gemcitabine

This is a non-PDB format compatible entry.

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	136.092, 136.092, 87.172
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.820 - 1.960
R-factor	0.2108
Rwork	0.208
R-free	0.25520
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.320
Data reduction software	xia2 (3.4.2)
Data scaling software	xia2 (3.4.2)
Phasing software	PHENIX (1.19.2-4158)
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	70.090	1.960
High resolution limit [Å]	1.930	1.930
Rmerge	0.164
Rmeas	0.166	11.618
Rpim	0.027	1.882
Number of reflections	69176	3388
<I/σ(I)>	12.3	0.5
Completeness [%]	100.0	98.89
Redundancy	39
CC(1/2)	1.000	0.353

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293.15	30.629% v/v PEG 6000; 0.1 M Tris pH 8; 0.00030367 M Zinc chloride