7C16

Crystal structure of a dinucleotide-binding protein (Y224A/Y246A) of ABC transporter endogenously bound to uridylyl-3'-5'-phospho-guanosine (Form I)

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	2019-07-22
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	58.520, 121.690, 65.400
Unit cell angles	90.00, 90.07, 90.00

Refinement procedure

Resolution	58.520 - 1.900
R-factor	0.1649
Rwork	0.163
R-free	0.20440
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7c0f
RMSD bond length	0.018
RMSD bond angle	2.229
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]	60.840	60.840	1.940
High resolution limit [Å]	1.900	9.110	1.900
Rmerge	0.157	0.084	0.570
Rmeas	0.180	0.098	0.661
Rpim	0.089	0.050	0.329
Total number of observations	294910	2783	18576
Number of reflections	71958	690	4654
<I/σ(I)>	6.8	12.2	2.3
Completeness [%]	100.0	99.7	100
Redundancy	4.1	4	4
CC(1/2)	0.969	0.964	0.692

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