7C0Z

Crystal structure of a dinucleotide-binding protein (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	2019-07-14
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	58.800, 104.390, 65.740
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	65.740 - 2.200
R-factor	0.1903
Rwork	0.188
R-free	0.23780
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7c0f
RMSD bond length	0.013
RMSD bond angle	2.030
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]	65.740	65.740	2.270
High resolution limit [Å]	2.200	9.070	2.200
Rmerge	0.174	0.122	0.511
Rmeas	0.197	0.138	0.585
Rpim	0.091	0.064	0.282
Total number of observations	172451	2565	13680
Number of reflections	39359	607	3320
<I/σ(I)>	7.1	12.1	2.9
Completeness [%]	97.9	99.7	95.9
Redundancy	4.4	4.2	4.1
CC(1/2)	0.978	0.982	0.778

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