7C0S

Crystal structure of a dinucleotide-binding protein (F79A) of ABC transporter endogenously bound to uridylyl-3'-5'-phospho-guanosine (Form II)

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	2019-01-06
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	66.539, 58.360, 123.820
Unit cell angles	90.00, 94.81, 90.00

Refinement procedure

Resolution	60.560 - 1.850
R-factor	0.2065
Rwork	0.205
R-free	0.23980
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7c0f
RMSD bond length	0.015
RMSD bond angle	1.997
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]	60.560	60.560	1.890
High resolution limit [Å]	1.850	9.250	1.850
Rmerge	0.082	0.040	0.561
Rmeas	0.093	0.045	0.636
Rpim	0.043	0.020	0.293
Total number of observations	318743	3068	17472
Number of reflections	74626	704	4010
<I/σ(I)>	12.2	27.5	2.5
Completeness [%]	92.0	99.4	83.6
Redundancy	4.3	4.4	4.4
CC(1/2)	0.995	0.998	0.772

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