9F63

Crystal structure of Saccharomyces cerevisiae pH nine-sensitive protein 1 (PNS1)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-12-12
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.976400
Spacegroup name	P 2 21 21
Unit cell lengths	67.449, 91.262, 108.372
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.290 - 2.730
R-factor	0.2348
Rwork	0.232
R-free	0.28460
Structure solution method	SAD
RMSD bond length	0.007
RMSD bond angle	0.852
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER (1.18.2_3874)
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.470	2.860
High resolution limit [Å]	2.730	2.730
Rmerge	0.133	2.212
Rmeas	0.145	2.399
Rpim	0.057	0.922
Total number of observations	118497	16041
Number of reflections	18374	2397
<I/σ(I)>	8.8	0.9
Completeness [%]	100.0
Redundancy	6.4	6.7
CC(1/2)	0.998	0.413

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE		292	0.1M (NH4)2PO4, 0.1M HEPES 7.0, 32% PEG 400, 6mM TCEP