7C0T

Crystal structure of a dinucleotide-binding protein (N81A) 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	2019-02-12
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	66.610, 58.340, 123.480
Unit cell angles	90.00, 95.04, 90.00

Refinement procedure

Resolution	60.670 - 1.770
R-factor	0.1825
Rwork	0.181
R-free	0.21860
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7c0f
RMSD bond length	0.016
RMSD bond angle	2.037
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]	61.500	61.500	1.800
High resolution limit [Å]	1.770	9.550	1.770
Rmerge	0.081	0.060	0.227
Rmeas	0.088	0.065	0.247
Rpim	0.034	0.025	0.096
Total number of observations	555264	4146	25246
Number of reflections	87436	635	4080
<I/σ(I)>	15.6	27.7	5.1
Completeness [%]	95.2	98.9	88.1
Redundancy	6.4	6.5	6.2
CC(1/2)	0.996	0.996	0.962

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