8HCH

Crystal structure of mTREX1-Uridine complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL13B1
Synchrotron site	NSRRC
Beamline	BL13B1
Temperature [K]	100
Detector technology	CCD
Collection date	2020-03-17
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.00000
Spacegroup name	P 1 21 1
Unit cell lengths	67.632, 81.149, 93.653
Unit cell angles	90.00, 103.51, 90.00

Refinement procedure

Resolution	24.690 - 2.000
R-factor	0.1901
Rwork	0.187
R-free	0.22750
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5yws
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	2.030
High resolution limit [Å]	2.000	5.420	2.000
Rmerge	0.063	0.038	0.495
Rmeas	0.071	0.044	0.572
Rpim	0.034	0.022	0.280
Total number of observations	285244
Number of reflections	66457	3364	3283
<I/σ(I)>	12.4
Completeness [%]	99.6	97.6	99.6
Redundancy	4.3	4.1	3.9
CC(1/2)		0.997	0.725

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	12.5% v/v MPD; 12.5% PEG 1000; 12.5% w/v PEG 3350, 0.2% w/v Cytidine, 0.2% w/v Inosine, 0.2% w/v Ribavirin, 0.2% w/v Thymidine, 0.2% w/v Uridine, 0.1M Imidazole, 0.1M MES monohydrate (acid), pH6.5