8ZVS

Crystal structure of snFPITE-n1

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	2019-11-18
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97915
Spacegroup name	P 21 2 21
Unit cell lengths	40.315, 43.730, 121.590
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.266 - 1.987
R-factor	0.1586
Rwork	0.156
R-free	0.20470
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.488
Data reduction software	HKL-2000
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.730	2.040
High resolution limit [Å]	1.987	1.990
Rmerge	0.021	0.034
Rmeas	0.025	0.043
Rpim	0.014	0.026
Number of reflections	15359	1008
<I/σ(I)>	24.6	14.9
Completeness [%]	99.2	95.9
Redundancy	3.2
CC(1/2)	0.999	0.997

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		291.15	0.1 M Tris, pH 9.0, 2 M (NH4)2SO4, 0.2 M NaSCN