8IEY

Aquifex aeolicus TsaD-TsaB

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-X
Temperature [K]	150
Detector technology	PIXEL
Collection date	2021-09-27
Detector	RIGAKU HyPix-6000HE
Wavelength(s)	1.54184
Spacegroup name	P 31 2 1
Unit cell lengths	97.719, 97.719, 132.204
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.520 - 2.000
R-factor	0.219
Rwork	0.216
R-free	0.26690
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.907
Data reduction software	CrysalisPro (1.1.11)
Data scaling software	Aimless (1.12.15)
Phasing software	MOLREP (11.9.02)
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.640	2.040
High resolution limit [Å]	2.000	2.000
Rpim	0.103
Number of reflections	48654	4427
<I/σ(I)>	30.87
Completeness [%]	99.9
Redundancy	24.5
CC(1/2)	0.998	0.892

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	9 mg/ml TsaD-TsaB, 0.1 M MES pH 6.5, 30 % PEG 300, 200 mM NaC