6M96

ATP-bound conformation of the WzmWzt O antigen ABC transporter

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	2018-06-04
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.9201
Spacegroup name	P 65 2 2
Unit cell lengths	144.751, 144.751, 201.466
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	24.880 - 2.050
R-factor	0.1653
Rwork	0.164
R-free	0.18240
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6AN7
RMSD bond length	0.008
RMSD bond angle	0.971
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.13_2998))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	2.090
High resolution limit [Å]	2.050	2.050
Rpim	0.030	0.495
Number of reflections	78327	4396
<I/σ(I)>	14.6
Completeness [%]	99.9	99.9
Redundancy	12.1	9.8
CC(1/2)	0.998	0.582

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		290.15	21-25% PEG 200, 0.02 M sodium acetate pH 4.0, 0.05-0.2 M ammonium sulfate, and 0.02 M sodium chloride