8C8E

Crystal structure of phi3T_93 L23D mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALBA BEAMLINE XALOC
Synchrotron site	ALBA
Beamline	XALOC
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-06-17
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97918
Spacegroup name	P 31 2 1
Unit cell lengths	71.890, 71.890, 68.341
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	62.260 - 2.200
R-factor	0.2112
Rwork	0.210
R-free	0.23840
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.892
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	PHENIX (1.20_4459)
Refinement software	PHENIX (1.20_4459)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	62.260	2.270
High resolution limit [Å]	2.199	2.200
Rmerge	0.117	1.119
Rmeas	0.124
Rpim	0.041
Number of reflections	10758	912
<I/σ(I)>	15	3.1
Completeness [%]	100.0	100
Redundancy	16.7	14.4
CC(1/2)	0.998	0.904

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	294.15	18% w/vPEG 8000, 100mM HEPES Sodium Salt, 200mM calcium acetate