7Z00

Crystal structure of Vibrio alkaline phosphatase in 1.0 M KBr

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P14 (MX2)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-10-09
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.918
Spacegroup name	C 2 2 21
Unit cell lengths	99.250, 118.120, 84.400
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.390 - 2.600
R-factor	0.2467
Rwork	0.242
R-free	0.29130
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3e2d
RMSD bond length	0.007
RMSD bond angle	0.988
Data reduction software	XDS (Feb 5, 2021)
Data scaling software	XSCALE (Feb 5, 2021)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (dev_3958)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.390	2.670
High resolution limit [Å]	2.600	2.600
Rmeas	0.156	2.994
Number of reflections	209590	15872
<I/σ(I)>	7.96
Completeness [%]	99.8	100
Redundancy	7.12	7.21
CC(1/2)	0.998	0.371

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	13.4 mg/mL protein in 24% PEG3350, 1.0 M KBr and 0.1 M Tris pH 7.0. Grown from seed crystals grown in 24% PEG3350, 0.4 M KBr, pH 7.0.