7C0L

Crystal structure of a dinucleotide-binding protein of ABC transporter endogenously bound to uridylyl-3'-5'-phospho-guanosine (Form III)

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	2016-05-20
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	65.910, 58.120, 102.400
Unit cell angles	90.00, 93.04, 90.00

Refinement procedure

Resolution	56.790 - 1.850
R-factor	0.1802
Rwork	0.178
R-free	0.22270
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7c0f
RMSD bond length	0.014
RMSD bond angle	1.882
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]	56.790	56.730	1.890
High resolution limit [Å]	1.850	9.050	1.850
Rmerge	0.125	0.106	0.425
Rmeas	0.152	0.130	0.527
Rpim	0.086	0.075	0.307
Total number of observations		1493	8450
Number of reflections	55937	560	3383
<I/σ(I)>	9.3	12.1	2.9
Completeness [%]	83.8	91.3	82.3
Redundancy	2.8	2.7	2.5
CC(1/2)	0.978	0.976	0.768

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