9PVR

Crystal structure of HpsO from Cupriavidus pinatubonensis, crystal form 2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-03-04
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9537
Spacegroup name	C 1 2 1
Unit cell lengths	79.684, 122.176, 51.314
Unit cell angles	90.00, 117.10, 90.00

Refinement procedure

Resolution	37.509 - 1.080
Rwork	0.117
R-free	0.13490
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.813
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0425)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.510	1.110
High resolution limit [Å]	1.080	1.080
Number of reflections	184643	8816
<I/σ(I)>	13.3
Completeness [%]	99.3
Redundancy	3.4
CC(1/2)	1.000	0.910

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	20 - 22% PEG4000, 0.2 M sodium chloride or lithium chloride, 0.1 M Tris-HCl (pH 8.0)