7Z6F

Crystal structure of the substrate-binding protein YejA in complex with peptide fragment

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-10-13
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9686
Spacegroup name	P 21 21 21
Unit cell lengths	70.531, 76.972, 103.817
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	62.190 - 1.650
R-factor	0.1915
Rwork	0.189
R-free	0.23250
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5icq 4ony
RMSD bond length	0.006
RMSD bond angle	0.815
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	62.190	1.680
High resolution limit [Å]	1.650	1.650
Rmerge	0.116	1.355
Number of reflections	68508	3281
<I/σ(I)>	7.4	1
Completeness [%]	99.6	95.9
Redundancy	4.3
CC(1/2)	0.995	0.500

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	293	25% PEG 3350, 0.1 M Bis-Tris pH 5.5