8VTZ

Crystal structure of Aquifex aeolicus Trbp111

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-06-30
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.000
Spacegroup name	C 2 2 21
Unit cell lengths	58.002, 82.221, 88.882
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.400 - 2.300
R-factor	0.2165
Rwork	0.214
R-free	0.26400
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.491
Data reduction software	DIALS
Data scaling software	DIALS
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.400	2.380
High resolution limit [Å]	2.300	2.300
Rpim	0.041	0.119
Number of reflections	9724	930
<I/σ(I)>	9.53	1.79
Completeness [%]	99.7
Redundancy	18.6
CC(1/2)	0.996	0.954

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		294.15	0.2 M lithium sulfate monohydrate, 0.1 M Tris-HCl pH 8.5 and 25% PEG 3350