7Z1Q

X-ray crystal structure of SLPYL1-E151D mutant with NIO molecules

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	2021-05-05
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9793
Spacegroup name	P 32 2 1
Unit cell lengths	87.160, 87.160, 55.276
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	44.600 - 1.683
R-factor	0.2011
Rwork	0.200
R-free	0.22040
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5moa
RMSD bond length	0.006
RMSD bond angle	0.873
Data reduction software	XDS (VERSION Feb 5, 2021 BUILT=20210205)
Data scaling software	XDS (VERSION Feb 5, 2021 BUILT=20210205)
Refinement software	PHENIX (1.20_4459)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.600	1.744
High resolution limit [Å]	1.683	1.683
Rmerge	0.043	0.964
Rmeas	0.046	1.045
Rpim	0.014	0.395
Number of reflections	27741	2726
<I/σ(I)>	31.29	1.91
Completeness [%]	99.8
Redundancy	9.8	6.6
CC(1/2)	0.999	0.790

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	291	Ammonium sulfate 1.8M