7U07

Crystal structure of queuine salvage enzyme DUF2419, apo form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-10-02
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97950
Spacegroup name	P 41 21 2
Unit cell lengths	105.752, 105.752, 159.181
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.480 - 2.100
R-factor	0.1359
Rwork	0.134
R-free	0.16590
Structure solution method	MAD
RMSD bond length	0.006
RMSD bond angle	1.303
Data reduction software	XDS (vJan31, 2020)
Data scaling software	XDS (vJan31, 2020)
Phasing software	PHENIX (v1.19.2)
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.000	40.000	2.140
High resolution limit [Å]	2.100	5.700	2.100
Rmerge	0.453	0.073	6.216
Rmeas	0.455	0.073	6.261
Rpim	0.042	0.007	0.736
Total number of observations	6123676
Number of reflections	52930	2898	2601
<I/σ(I)>	2.3
Completeness [%]	99.7	98.9	99.8
Redundancy	115.7	115.7	70.1
CC(1/2)		1.000	0.637

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	1.1 M Sodium malonate, 0.1 M HEPES, 0.5% (v/v) Jaffamine ED-2001
1	VAPOR DIFFUSION, SITTING DROP	7	293	1.1 M Sodium malonate, 0.1 M HEPES, 0.5% (v/v) Jaffamine ED-2001