7C0O

Crystal structure of a dinucleotide-binding protein (Y56F) 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	2019-01-05
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	66.600, 58.450, 123.090
Unit cell angles	90.00, 95.10, 90.00

Refinement procedure

Resolution	61.300 - 2.000
R-factor	0.1815
Rwork	0.179
R-free	0.22670
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7c0f
RMSD bond length	0.016
RMSD bond angle	1.956
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]	61.300	61.300	2.050
High resolution limit [Å]	2.000	8.940	2.000
Rmerge	0.139	0.098	0.467
Rmeas	0.159	0.115	0.531
Rpim	0.076	0.060	0.249
Total number of observations	269000	3178	18469
Number of reflections	62323	779	4349
<I/σ(I)>	7.8	12.6	3.2
Completeness [%]	97.2	99.7	92.4
Redundancy	4.3	4.1	4.2
CC(1/2)	0.978	0.939	0.832

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