7ATR

The Crystal Structure of YejA - an ABC Peptide Transporter Receptor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-05-08
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.92819
Spacegroup name	I 2 2 2
Unit cell lengths	91.440, 105.267, 145.387
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	85.264 - 1.550
Rwork	0.170
R-free	0.18460
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ony
RMSD bond length	0.013
RMSD bond angle	1.827
Data reduction software	Aimless (0.7.4)
Data scaling software	Aimless (0.7.4)
Phasing software	MOLREP (11.7.02)
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	85.264	85.260	1.580
High resolution limit [Å]	1.550	8.490	1.550
Rmerge	0.070	0.034	0.668
Rmeas	0.080	0.039	0.756
Rpim	0.038	0.018	0.353
Number of reflections	101011	702	4874
<I/σ(I)>	14.1	36.9	2.4
Completeness [%]	99.6
Redundancy	8.4	7.8	8.5
CC(1/2)	0.997	0.956	0.904

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	291	Protein: 20 mg.ml-1 in 20 mM Tris-HCl, 50 mM NaCl, pH 8.0 Reservoir solution: 2% w/v polyethylene glycol 20,000, 0.1 M 2-(N-morpholino)ethanesulfonic acid, pH 6.5 Drops: 300 nl (150 nl protein solution + 150 nl reservoir solution) Reservoir: 100 microlitres