8ANU

Crystal structure of protein phi3T-93

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	2021-10-28
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97918
Spacegroup name	I 1 2 1
Unit cell lengths	46.350, 49.910, 70.530
Unit cell angles	90.00, 107.74, 90.00

Refinement procedure

Resolution	40.063 - 2.310
R-factor	0.211675325209
Rwork	0.209
R-free	0.26035
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8ant
RMSD bond length	0.010
RMSD bond angle	1.159
Data reduction software	iMOSFLM
Data scaling software	SCALA
Phasing software	PHENIX
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.470	2.440
High resolution limit [Å]	2.310	2.310
Rmerge	0.100	0.212
Rmeas		0.237
Rpim		0.102
Number of reflections	6697	985
<I/σ(I)>	8.5	4.4
Completeness [%]	98.1	98.6
Redundancy	4.9	5.1
CC(1/2)	0.993	0.961

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		294.15	10%PEG8000, 50mM magnesium acetate, 100mM sodium acetate