7C0U

Crystal structure of a dinucleotide-binding protein (S127A) of ABC transporter endogenously bound to uridylyl-3'-5'-phospho-guanosine

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	2019-04-14
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	66.990, 57.280, 121.599
Unit cell angles	90.00, 94.93, 90.00

Refinement procedure

Resolution	46.950 - 1.800
R-factor	0.2283
Rwork	0.226
R-free	0.27430
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7c0f
RMSD bond length	0.014
RMSD bond angle	1.899
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]	46.950	46.910	1.830
High resolution limit [Å]	1.800	9.350	1.800
Rmerge	0.118	0.070	0.522
Rmeas	0.139	0.082	0.612
Rpim	0.072	0.043	0.317
Total number of observations		2303	14898
Number of reflections	82790	668	4301
<I/σ(I)>	7	11.8	2.5
Completeness [%]	97.1	99.3	92.6
Redundancy	3.5	3.4	3.5
CC(1/2)	0.985	0.980	0.728

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