7C14

Crystal structure of a dinucleotide-binding protein (Q274A) 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	2019-04-20
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	66.200, 58.290, 121.900
Unit cell angles	90.00, 94.78, 90.00

Refinement procedure

Resolution	66.060 - 2.400
R-factor	0.2305
Rwork	0.227
R-free	0.29370
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7c0f
RMSD bond length	0.010
RMSD bond angle	1.720
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]	66.060	65.970	2.490
High resolution limit [Å]	2.400	8.980	2.400
Rmerge	0.242	0.176	0.585
Rmeas	0.278	0.203	0.674
Rpim	0.136	0.101	0.332
Total number of observations		2945	15635
Number of reflections	36616	757	3809
<I/σ(I)>	6.4	11.2	2.7
Completeness [%]	100.0	99.9	100
Redundancy	4.1	3.9	4.1
CC(1/2)	0.951	0.947	0.714

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