6PER

Crystal Structure of Ligand-Free iSeroSnFR

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-11-08
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9792
Spacegroup name	I 2 2 2
Unit cell lengths	80.672, 99.255, 150.558
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	62.602 - 2.100
R-factor	0.1902
Rwork	0.188
R-free	0.23220
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3osq 4z7e
RMSD bond length	0.008
RMSD bond angle	1.073
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.14_3260: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	82.870	2.160
High resolution limit [Å]	2.100	2.100
Rmerge	0.070	0.638
Rmeas	0.084	0.765
Rpim	0.045	0.414
Number of reflections	34793	2849
<I/σ(I)>	11.4	2
Completeness [%]	98.1	99.2
Redundancy	3.1	3.1
CC(1/2)	0.998	0.682

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	294	0.1 M HEPES:NaOH, 30% Jeffamine ED-2001