7LC7

Crystal structure of epoxyqueuosine reductase QueH in complex with GMP from Thermotoga maritima

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-08-07
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.033
Spacegroup name	C 2 2 21
Unit cell lengths	53.335, 104.783, 73.741
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.530 - 1.580
R-factor	0.2021
Rwork	0.200
R-free	0.24290
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7lc5
RMSD bond length	0.007
RMSD bond angle	0.902
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.530	1.633
High resolution limit [Å]	1.576	1.576
Rmerge	0.079	0.675
Rmeas	0.086	0.735
Rpim	0.033	0.287
Number of reflections	27990	2694
<I/σ(I)>	13.25	2.09
Completeness [%]	96.8	94.29
Redundancy	6.7	6.4
CC(1/2)	0.997	0.834

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	293	100 mM Bis-Tris, pH 5.5, 200 mM lithium sulfate monohydrate, 25% PEG3350