7C1B

Crystal structure of a dinucleotide-binding protein (F79A/Y224A/Y246A and deletion of residues 50-75) of ABC transporter (unbound form)

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	2019-12-08
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	52.930, 55.470, 124.400
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	62.200 - 2.300
R-factor	0.1986
Rwork	0.195
R-free	0.26950
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7c0f
RMSD bond length	0.013
RMSD bond angle	1.821
Data reduction software	MOSFLM (7.2.2)
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER (2.8.3)
Refinement software	REFMAC (5.8.0266)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	62.200	62.200	2.380
High resolution limit [Å]	2.300	8.910	2.300
Rmerge	0.150	0.054	0.559
Rmeas	0.157	0.058	0.586
Rpim	0.048	0.018	0.177
Total number of observations	181309	3199	17280
Number of reflections	16950	358	1607
<I/σ(I)>	11.5	23.2	4.1
Completeness [%]	100.0	99.9	100
Redundancy	10.7	8.9	10.8
CC(1/2)	0.997	0.999	0.928

Crystallization Conditions

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