7C0K

Crystal structure of a dinucleotide-binding protein 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	2017-04-13
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	66.170, 57.520, 121.140
Unit cell angles	90.00, 94.99, 90.00

Refinement procedure

Resolution	46.570 - 1.800
R-factor	0.1475
Rwork	0.146
R-free	0.17620
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7c0f
RMSD bond length	0.018
RMSD bond angle	2.120
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]	46.570	46.570	1.830
High resolution limit [Å]	1.800	9.520	1.800
Rmerge	0.075	0.034	0.539
Rmeas	0.086	0.039	0.619
Rpim	0.041	0.018	0.301
Total number of observations	361385
Number of reflections	84314	614	4443
<I/σ(I)>	12.3
Completeness [%]	99.9	99.3	99.6
Redundancy	4.3	4.2	4.2
CC(1/2)	0.998	0.999	0.792

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	277	0.2M ammonium phosphate, 0.1M sodium cacodylate pH6.5, 30% PEG 8000