6VHU

Klebsiella oxytoca NpsA N-terminal subdomain in space group P21

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	P 1 21 1
Unit cell lengths	71.949, 59.114, 80.408
Unit cell angles	90.00, 101.12, 90.00

Refinement procedure

Resolution	70.600 - 1.600
R-factor	0.1895
Rwork	0.188
R-free	0.21840
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6vht
RMSD bond length	0.013
RMSD bond angle	0.931
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]	70.600	1.630
High resolution limit [Å]	1.600	1.600
Rmeas	0.132	1.944
Rpim	0.051	0.805
Number of reflections	84862	3365
<I/σ(I)>	8.5	0.9
Completeness [%]	96.5	77.5
Redundancy	6.7	5.6
CC(1/2)	0.995	0.381

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