8ZVX

Crystal structure of snFPITE-n2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-10-07
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97915
Spacegroup name	P 21 21 21
Unit cell lengths	39.262, 59.738, 193.702
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	96.851 - 1.500
R-factor	0.164
Rwork	0.163
R-free	0.18600
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.162
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	96.851	1.530
High resolution limit [Å]	1.500	1.500
Rmerge	0.077	0.686
Rmeas	0.085	0.756
Rpim	0.035	0.313
Number of reflections	71302	3616
<I/σ(I)>	12.6	2.6
Completeness [%]	96.0	99.9
Redundancy	5.7
CC(1/2)	0.998	0.821

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		291.15	2 M Lithium sulfate, 100 mM Tris, pH 8.5, 2% v/v Polyethylene glycol 400