9Q6M

Crystal Structure of Vibrio cholerae PilU, a PilT-dependent Retraction ATPase - Crystal Form 1.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-06-16
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.97887
Spacegroup name	P 21 21 2
Unit cell lengths	108.311, 133.732, 181.795
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.570 - 2.950
R-factor	0.22514
Rwork	0.223
R-free	0.26487
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	1.349
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0431)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	3.000
High resolution limit [Å]	2.950	2.950
Rmerge	0.149
Rmeas	0.156
Rpim	0.044	0.436
Number of reflections	56455	2794
<I/σ(I)>	15.8	1.6
Completeness [%]	99.3	100
Redundancy	11.9	12.2
CC(1/2)	0.998	0.578

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	292	Protein: 8.2mg/ml, 0.5 Sodium chloride, 0.1M Tris (pH 8.3); Screen: PACT (H5), 0.2M Sodium nitrate, 0.1M Bis Tris propane (pH 8.5), 20% (w/v) PEG 3350; Cryo: 0.2M Sodium nitrate, 0.1M Bis Tris propane pH 8.5, 20% (w/v) PEG 3350.