7UK3

Crystal structure of queuine salvage enzyme DUF2419, wild-type (non-His6x tagged)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-02-26
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97946
Spacegroup name	P 31 2 1
Unit cell lengths	95.159, 95.159, 129.320
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	41.240 - 2.310
R-factor	0.1518
Rwork	0.150
R-free	0.17460
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7u07
RMSD bond length	0.006
RMSD bond angle	1.021
Data reduction software	HKL-3000 (v721.3)
Data scaling software	HKL-3000 (v721.3)
Phasing software	PHENIX (v1.19.2)
Refinement software	REFMAC (5.8.0222)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	42.000	42.000	2.340
High resolution limit [Å]	2.300	6.240	2.300
Rmerge	0.265	0.067	6.599
Rmeas	0.279	0.070	6.971
Rpim	0.086	0.022	2.225
Total number of observations	312644
Number of reflections	30413	1660	1479
<I/σ(I)>	3.6
Completeness [%]	100.0	99.9	99.9
Redundancy	10.3	9.9	9.6
CC(1/2)		0.998	0.309

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	0.2M Sodium thiocynate, 20% PEG3350, pH 6.9