6PXI

The crystal structure of a singly capped HslUV complex with an axial pore plug and a HslU E257Q mutation

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2016-11-06
Detector	RIGAKU SATURN 944
Wavelength(s)	1.5418
Spacegroup name	P 3 2 1
Unit cell lengths	168.604, 168.604, 162.886
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.672 - 3.447
R-factor	0.2606
Rwork	0.257
R-free	0.28520
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1g4a
RMSD bond length	0.002
RMSD bond angle	0.440
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.10_2155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	100.000	100.000	3.510
High resolution limit [Å]	3.447	9.360	3.450
Rmerge	0.114	0.044	0.666
Rmeas	0.141	0.054	0.890
Rpim	0.081	0.030	0.584
Number of reflections	29212	1537	1021
<I/σ(I)>	5.6
Completeness [%]	81.7	80.1	59.3
Redundancy	2.2	2.7	1.5
CC(1/2)		0.995	0.583

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	1.85 M ammonium sulfate, 0.1 M Bis-Tris pH 5.5, 5% glycerol