7C0W

Crystal structure of a dinucleotide-binding protein (Y224A) 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	2019-04-16
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	65.960, 58.060, 103.080
Unit cell angles	90.00, 93.25, 90.00

Refinement procedure

Resolution	54.150 - 2.100
R-factor	0.2032
Rwork	0.201
R-free	0.25000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7c0f
RMSD bond length	0.012
RMSD bond angle	1.781
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]	58.060	58.060	2.160
High resolution limit [Å]	2.100	8.910	2.100
Rmerge	0.157	0.105	0.471
Rmeas	0.181	0.122	0.541
Rpim	0.089	0.062	0.264
Total number of observations	183894	2494	14618
Number of reflections	45231	655	3648
<I/σ(I)>	6.9	12.5	3.2
Completeness [%]	99.0	99.7	97.6
Redundancy	4.1	3.8	4
CC(1/2)	0.983	0.982	0.797

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