7C0F

Crystal structure of a dinucleotide-binding protein 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	2017-03-23
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	58.160, 120.880, 66.060
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	66.060 - 2.150
R-factor	0.1604
Rwork	0.158
R-free	0.20410
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4mfi
RMSD bond length	0.015
RMSD bond angle	1.927
Data reduction software	MOSFLM (7.2.2)
Data scaling software	Aimless (7.2.2)
Phasing software	PHASER (2.8.3)
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	66.060	2.210
High resolution limit [Å]	2.150	2.150
Rmerge	0.105	0.429
Rmeas	0.148	0.594
Rpim	0.104	0.410
Number of reflections	48571	3803
<I/σ(I)>	6.9	2.5
Completeness [%]	98.2	95.1
Redundancy	2.8	2.7
CC(1/2)	0.987	0.697

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