8FBY

Crystal structure of PLVAP CC1 determined by sulfur SAD

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-1
Synchrotron site	NSLS-II
Beamline	17-ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-06-12
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.7712
Spacegroup name	P 21 21 21
Unit cell lengths	35.587, 86.232, 181.647
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	90.820 - 2.400
R-factor	0.225
Rwork	0.223
R-free	0.26100
Structure solution method	SAD
RMSD bond length	0.009
RMSD bond angle	1.170
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	AutoSol
Refinement software	BUSTER (2.10.3)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	90.830	2.460
High resolution limit [Å]	2.400	2.400
Rmerge	0.122	0.345
Rmeas	0.123	0.350
Rpim	0.016	0.056
Total number of observations	1374893	59112
Number of reflections	22760	1564
<I/σ(I)>	29.6	10.6
Completeness [%]	99.7
Redundancy	60.4	37.8
CC(1/2)	0.998	0.991

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2 M sodium malonate, pH 5.0 and 20% PEG3350