8T9T

Apo Crystal Structure of a 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	2022-11-08
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.95372
Spacegroup name	P 21 21 21
Unit cell lengths	42.925, 72.997, 95.240
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.665 - 1.480
Rwork	0.170
R-free	0.20300
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	2.018
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0425)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.665	47.620	1.510
High resolution limit [Å]	1.480	8.110	1.480
Rmerge	0.066	0.064	0.539
Rmeas	0.070	0.068	0.566
Rpim	0.021	0.022	0.174
Number of reflections	50754	377	2453
<I/σ(I)>	25.6
Completeness [%]	100.0
Redundancy	19.8	16	20.5
CC(1/2)	0.999	0.994	0.975

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	Sodium bromide, Bis-Tris propane, PEG 3350