7C0R

Crystal structure of a dinucleotide-binding protein (F79A) 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	2019-01-07
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	58.390, 121.580, 66.190
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	60.790 - 1.770
R-factor	0.1449
Rwork	0.143
R-free	0.18230
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7c0f
RMSD bond length	0.018
RMSD bond angle	2.286
Data reduction software	HKL-3000 (3000)
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]	60.790	60.790	1.800
High resolution limit [Å]	1.770	9.380	1.770
Rmerge	0.116	0.090	0.574
Rmeas	0.130	0.100	0.655
Rpim	0.058	0.045	0.308
Total number of observations	389869	3022	17149
Number of reflections	85038	627	4067
<I/σ(I)>	9.3	16.6	2.4
Completeness [%]	95.4	99.7	86.7
Redundancy	4.6	4.8	4.2
CC(1/2)	0.991	0.988	0.706

Crystallization Conditions

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