6NKL

2.2 A resolution structure of VapBC-1 from nontypeable Haemophilus influenzae

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-ID
Synchrotron site	APS
Beamline	17-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-03-04
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	43.880, 57.325, 175.745
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.010 - 2.200
R-factor	0.1885
Rwork	0.186
R-free	0.23380
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ecd
Data reduction software	XDS
Data scaling software	Aimless (0.6.3)
Phasing software	PHASER (2.8.2)
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.010	48.010	2.270
High resolution limit [Å]	2.200	9.070	2.200
Rmerge	0.168	0.064	1.613
Number of reflections	23388	407	1966
<I/σ(I)>	10.9
Completeness [%]	100.0	99.7	100
Redundancy	13	10.7	13.7
CC(1/2)	0.998	0.996	0.784

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	291	20% (w/v) PEG 4000, 0.1 M sodium acetate, 0.2 M ammonium acetate