6ZK5

Plant nucleoside hydrolase - ZmNRh3 enzyme in complex with forodesine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-06-27
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.978
Spacegroup name	P 21 21 21
Unit cell lengths	78.540, 79.270, 85.220
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.610 - 1.900
R-factor	0.171
Rwork	0.170
R-free	0.19300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4kpo
RMSD bond length	0.010
RMSD bond angle	1.040
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	BUSTER (2.10.3)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.610	2.010
High resolution limit [Å]	1.900	1.900
Rmerge	0.149
Number of reflections	42550	6773
<I/σ(I)>	13.7
Completeness [%]	99.8
Redundancy	13.3
CC(1/2)	0.999	0.572

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		292	PEG