8TE9

Crystal Structure of an Isethionate bound Substrate Binding Protein (IseP) from an Isethionate TRAP Transporter

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-04-13
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.95372
Spacegroup name	P 21 21 21
Unit cell lengths	72.200, 83.210, 91.910
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.900 - 1.250
Rwork	0.146
R-free	0.16900
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	2.003
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0425)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.900	46.900	1.270
High resolution limit [Å]	1.250	6.850	1.250
Rmerge	0.102	0.051	1.613
Rmeas	0.104	0.052	1.692
Rpim	0.020	0.010	0.504
Number of reflections	150942	1056	7262
<I/σ(I)>	23.9
Completeness [%]	98.7
Redundancy	48.5	47.5	21.3
CC(1/2)	1.000	0.998	0.763

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	Sodium nitrate, PEG 3350