8VGD

Complex of ExbD with D-box peptide: Tetragonal form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-1
Synchrotron site	NSLS-II
Beamline	17-ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-10-14
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.92011
Spacegroup name	P 41
Unit cell lengths	49.010, 49.010, 62.640
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.630 - 1.420
Rwork	0.187
R-free	0.20400
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	26.400	26.400	1.460
High resolution limit [Å]	1.420	6.350	1.420
Rmerge	0.080	0.073	5.067
Rmeas	0.083	0.076	5.253
Number of reflections	27989	332	2029
<I/σ(I)>	13.6
Completeness [%]	100.0
Redundancy	14.4
CC(1/2)	0.998	0.997	0.270

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	5.8	277	2M ammonium sulfate in 0.1 M sodium citrate, pH 5.8; microbatch under Al's oil