7Z1S

X-ray crystal structure of SLPYL1-NIO complex

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	2021-09-19
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979260
Spacegroup name	P 32 2 1
Unit cell lengths	86.674, 86.674, 55.896
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	44.830 - 1.650
R-factor	0.2328
Rwork	0.231
R-free	0.26970
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5moa
RMSD bond length	0.008
RMSD bond angle	0.961
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]	44.830	1.709
High resolution limit [Å]	1.650	1.650
Rmerge	0.046	3.333
Rmeas	0.048	3.461
Rpim	0.012	0.923
Number of reflections	29543	2883
<I/σ(I)>	27.19	0.68
Completeness [%]	99.6	96.92
Redundancy	14	13.8
CC(1/2)	1.000	0.515

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	291	Ammonium sulfate 1.6M