9O7U

Structure Determination of Pedobacter sp. KP-2 PahZ1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-05-25
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.11585
Spacegroup name	P 64 2 2
Unit cell lengths	165.781, 165.781, 51.201
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	82.890 - 2.000
R-factor	0.2259
Rwork	0.224
R-free	0.24900
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.388
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	82.890	2.072
High resolution limit [Å]	2.000	2.000
Rmerge	0.014	0.309
Number of reflections	28421	2721
<I/σ(I)>	21.49
Completeness [%]	99.7
Redundancy	2
CC(1/2)	1.000	0.708

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295	22% PEG 3350, 0.2 M NaFluoride, 0.1 M Tris 7.5