8FVZ

PiPT Y150A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	173
Detector technology	PIXEL
Collection date	2021-02-08
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.11584
Spacegroup name	H 3
Unit cell lengths	172.984, 172.984, 171.862
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.760 - 3.100
R-factor	0.2008
Rwork	0.194
R-free	0.21580
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.556
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX (1.19.2)
Refinement software	PHENIX (1.19.2)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.000	47.000	3.180
High resolution limit [Å]	3.100	13.860	3.100
Rmerge	0.155	0.036	4.549
Rmeas	0.163	0.038	4.775
Number of reflections	34818	382	2578
<I/σ(I)>	11.59
Completeness [%]	100.0
Redundancy	10.54
CC(1/2)	0.999	1.000	0.106

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	295	27%(w/v) pentaerythritol propoxylate, 5% polyethylene glycol 400, .2M KCL, .1M sodium citrate pH5.5