7C0X

Crystal structure of a dinucleotide-binding protein (T240A) of ABC transporter endogenously bound to uridylyl-3'-5'-phospho-guanosine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2019-07-16
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	66.640, 58.080, 122.020
Unit cell angles	90.00, 95.34, 90.00

Refinement procedure

Resolution	60.750 - 1.770
R-factor	0.1876
Rwork	0.186
R-free	0.22640
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7c0f
RMSD bond length	0.016
RMSD bond angle	2.025
Data reduction software	MOSFLM (7.2.2)
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER (2.8.3)
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	60.750	60.750	1.810
High resolution limit [Å]	1.770	9.380	1.770
Rmerge	0.170	0.128	0.486
Rmeas	0.192	0.144	0.554
Rpim	0.089	0.065	0.262
Total number of observations	355385	2763	16007
Number of reflections	83929	659	3881
<I/σ(I)>	6.6	8.6	2.6
Completeness [%]	93.1	98.9	81.7
Redundancy	4.2	4.2	4.1
CC(1/2)	0.974	0.972	0.764

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	277	0.2M ammonium phosphate, 0.1M sodium cacodylate pH 6.5, 30% PEG 8000