7C0V

Crystal structure of a dinucleotide-binding protein (Y224A) 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	2019-04-26
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	66.330, 57.780, 121.840
Unit cell angles	90.00, 94.99, 90.00

Refinement procedure

Resolution	60.760 - 1.900
R-factor	0.1971
Rwork	0.195
R-free	0.24560
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7c0f
RMSD bond length	0.013
RMSD bond angle	1.795
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]	60.760	60.690	1.940
High resolution limit [Å]	1.900	9.110	1.900
Rmerge	0.152	0.098	0.502
Rmeas	0.185	0.118	0.609
Rpim	0.104	0.065	0.339
Total number of observations		2020	12057
Number of reflections	68792	684	4085
<I/σ(I)>	5.9	9	2.3
Completeness [%]	94.6	95	87.6
Redundancy	2.9	3	3
CC(1/2)	0.964	0.974	0.654

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