7U5A

Crystal structure of queuine salvage enzyme DUF2419 mutant K199C, complexed with queuosine

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	2021-06-26
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97946
Spacegroup name	P 41 21 2
Unit cell lengths	106.401, 106.401, 159.643
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.650 - 2.500
R-factor	0.1538
Rwork	0.151
R-free	0.20170
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	7u07
RMSD bond length	0.005
RMSD bond angle	1.347
Data scaling software	XDS (vJan31, 2020)
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	37.650	37.620	2.600
High resolution limit [Å]	2.500	9.010	2.500
Rmerge	0.290	0.046	5.523
Rmeas	0.296	0.047	5.641
Rpim	0.057	0.010	1.138
Total number of observations		17762	86368
Number of reflections	32478	810	3602
<I/σ(I)>	12.8	45.5	0.9
Completeness [%]	100.0	98.9	100
Redundancy	26.1	21.9	24
CC(1/2)	0.998	1.000	0.445

Crystallization Conditions

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