7C0Y

Crystal structure of a dinucleotide-binding protein (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	2019-07-15
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	65.080, 58.520, 102.640
Unit cell angles	90.00, 92.75, 90.00

Refinement procedure

Resolution	56.190 - 1.700
R-factor	0.1786
Rwork	0.177
R-free	0.21440
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7c0f
RMSD bond length	0.015
RMSD bond angle	1.971
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]	56.190	56.130	1.730
High resolution limit [Å]	1.700	9.000	1.700
Rmerge	0.110	0.115	0.332
Rmeas	0.123	0.130	0.379
Rpim	0.055	0.058	0.179
Total number of observations		2674	18135
Number of reflections	83006	622	4230
<I/σ(I)>	8.7	12	3.7
Completeness [%]	97.6	99.3	94.6
Redundancy	4.5	4.3	4.3
CC(1/2)	0.991	0.977	0.888

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