7U91

Crystal structure of queuine salvage enzyme DUF2419, in complex with queuosine-5'-monophosphate

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	2002-02-26
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97946
Spacegroup name	P 41 21 2
Unit cell lengths	105.628, 105.628, 159.585
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.560 - 2.400
R-factor	0.1268
Rwork	0.125
R-free	0.16730
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	7u07
RMSD bond length	0.007
RMSD bond angle	1.471
Data reduction software	HKL-3000 (v721.3)
Data scaling software	HKL-3000 (v721.3)
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.440
High resolution limit [Å]	2.400	6.510	2.400
Rmerge	0.308	0.074	2.688
Rmeas	0.315	0.076	2.818
Rpim	0.064	0.015	0.826
Total number of observations	827080
Number of reflections	35946	1994	1733
<I/σ(I)>	3
Completeness [%]	99.7	99	99.5
Redundancy	23	24	11.3
CC(1/2)		0.995	0.338

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