9B48

Asp324Glu variant of phosphate transporter PiPT from Piriformospora indica

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	2017-10-08
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.116
Spacegroup name	H 3
Unit cell lengths	173.390, 173.390, 169.120
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	86.690 - 4.000
R-factor	0.2625
Rwork	0.261
R-free	0.26580
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.754
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX (1.19.2)
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	86.700	86.700	4.100
High resolution limit [Å]	4.000	17.890	4.000
Rmerge	0.534	0.039	3.160
Rmeas	0.561	0.040	3.790
Number of reflections	16023	186	1234
<I/σ(I)>	5.31
Completeness [%]	99.9		99.6
Redundancy	10.6		10.6
CC(1/2)	0.991	0.999	0.195

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