7C19

Crystal structure of a dinucleotide-binding protein (Y224A/Y246A) 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	2019-07-19
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	66.310, 58.840, 103.580
Unit cell angles	90.00, 93.10, 90.00

Refinement procedure

Resolution	57.250 - 1.770
R-factor	0.1833
Rwork	0.181
R-free	0.22170
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7c0f
RMSD bond length	0.014
RMSD bond angle	1.892
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]	58.840	58.840	1.810
High resolution limit [Å]	1.770	9.040	1.770
Rmerge	0.120	0.123	0.271
Rmeas	0.136	0.143	0.313
Rpim	0.065	0.071	0.152
Total number of observations	341086	2481	16991
Number of reflections	77250	637	4209
<I/σ(I)>	11	14.4	3.6
Completeness [%]	99.7	99.1	96
Redundancy	4.4	3.9	4
CC(1/2)	0.980	0.921	0.911

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