8ANV

Crystal structure of phi3T_93 and phi3T AimX complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-12-03
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9795
Spacegroup name	P 32 2 1
Unit cell lengths	66.438, 66.438, 85.129
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.670 - 2.200
R-factor	0.2277
Rwork	0.227
R-free	0.23420
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.022
Data reduction software	DIALS
Data scaling software	SCALA
Phasing software	PHENIX
Refinement software	PHENIX (1.20_4459)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	85.140	2.320
High resolution limit [Å]	2.190	2.190
Rmerge	0.030
Number of reflections	11446	1101
<I/σ(I)>	7.4	1.5
Completeness [%]	100.0
Redundancy	18.5
CC(1/2)	0.991	0.767

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	294.15	0.1M Hepes pH7.5, 10%PEG8000, 0.2M Calcium acetate.