7C15

Crystal structure of a dinucleotide-binding protein (Q274A) of ABC transporter endogenously bound to uridylyl-3'-5'-phospho-guanosine (Form II)

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	2019-07-21
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	57.730, 102.560, 66.180
Unit cell angles	90.00, 90.09, 90.00

Refinement procedure

Resolution	57.730 - 1.800
R-factor	0.1638
Rwork	0.161
R-free	0.20940
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7c0f
RMSD bond length	0.017
RMSD bond angle	2.157
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]	57.730	57.730	1.840
High resolution limit [Å]	1.800	9.000	1.800
Rmerge	0.119	0.099	0.560
Rmeas	0.138	0.117	0.651
Rpim	0.070	0.060	0.329
Total number of observations	264684	2171	14954
Number of reflections	69911	600	3973
<I/σ(I)>	7.2	11.6	2.3
Completeness [%]	98.3	99.8	95.4
Redundancy	3.8	3.6	3.8
CC(1/2)	0.987	0.976	0.728

Crystallization Conditions

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