7ED9

Crystal structure of selenomethionine-labeled Thermus thermophilus FakA ATP-binding domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL26B1
Synchrotron site	SPring-8
Beamline	BL26B1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-11-28
Detector	DECTRIS EIGER X 4M
Wavelength(s)	1.0000
Spacegroup name	P 43 21 2
Unit cell lengths	90.740, 90.740, 112.600
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.840 - 2.018
R-factor	0.227919186825
Rwork	0.227
R-free	0.24793
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7ed6
RMSD bond length	0.002
RMSD bond angle	0.658
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX (1.10.1_2155)
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.939	2.090
High resolution limit [Å]	2.018	2.020
Number of reflections	31444	3068
<I/σ(I)>	11.8	1.18
Completeness [%]	99.9	99.6
Redundancy	13.9	14.1
CC(1/2)	0.998	0.765

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	2.2M sodium chloride, 0.1M tris-HCl pH 8.5