6VHT

Klebsiella oxytoca NpsA N-terminal subdomain in space group C2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-03-25
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.03322
Spacegroup name	C 1 2 1
Unit cell lengths	76.597, 60.088, 80.775
Unit cell angles	90.00, 103.54, 90.00

Refinement procedure

Resolution	46.760 - 1.840
R-factor	0.21
Rwork	0.208
R-free	0.24830
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2vsq
RMSD bond length	0.012
RMSD bond angle	1.210
Data reduction software	XDS
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER
Refinement software	PHENIX (1.15_3459)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.760	1.870
High resolution limit [Å]	1.840	1.840
Rmeas	0.090	2.286
Rpim	0.034	0.886
Number of reflections	29872	1552
<I/σ(I)>	10.2	0.9
Completeness [%]	96.3	96.9
Redundancy	6.8	6.5
CC(1/2)	0.999	0.335

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	well solution: 100 mM HEPES pH 7.5, 150 mM KBr, 30% w/v PEG3350 protein solution (15 mg/mL): 50 mM HEPES pH 8.0, 150 mM NaCl, 0.2 mM TCEP hanging drops: 1 uL protein solution, 1 uL well solution