8TRP

Structure of a HEPES bound TRAP transporter substrate binding protein.

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	2022-02-22
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.95372
Spacegroup name	P 21 21 21
Unit cell lengths	45.588, 73.208, 94.818
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.454 - 1.890
Rwork	0.175
R-free	0.22940
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.961
Data reduction software	iMOSFLM
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]	47.454	47.410	1.930
High resolution limit [Å]	1.890	9.060	1.890
Rmerge	0.058	0.039	0.471
Rmeas	0.060	0.041	0.490
Rpim	0.016	0.011	0.132
Number of reflections	26163	294	1647
<I/σ(I)>	35.7
Completeness [%]	100.0
Redundancy	26.2	20.4	26
CC(1/2)	1.000	0.999	0.982

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	0.1 M HEPES pH 7.5, 20% PEG 4000, 10% 2-Propanol