8TQN

Crystal Structure of a MES 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	2022-11-08
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.95372
Spacegroup name	P 21 21 21
Unit cell lengths	43.669, 73.232, 95.455
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.773 - 1.650
Rwork	0.197
R-free	0.23700
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.524
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0419)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.773	47.730	1.680
High resolution limit [Å]	1.650	9.040	1.650
Rmerge	0.087	0.062	1.654
Rmeas	0.092	0.065	1.790
Rpim	0.028	0.020	0.671
Number of reflections	37696	288	1862
<I/σ(I)>	15.9
Completeness [%]	100.0
Redundancy	19.1	15.9	13
CC(1/2)	0.999	0.998	0.764

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	0.2 M Lithium chloride, 0.1 M MES 6.0, 20 % w/v PEG 6000