7QOW

Crystal structure of Vibrio alkaline phosphatase in 1.0 M NaCl

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 EIGER X 16M
Wavelength(s)	0.976
Spacegroup name	P 1 21 1
Unit cell lengths	77.202, 85.993, 85.139
Unit cell angles	90.00, 113.37, 90.00

Refinement procedure

Resolution	43.000 - 1.200
R-factor	0.1316
Rwork	0.131
R-free	0.15960
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3e2d
RMSD bond length	0.010
RMSD bond angle	1.145
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]	43.000	1.270
High resolution limit [Å]	1.200	1.200
Rmeas	0.052	1.830
Number of reflections	1999077	198148
<I/σ(I)>	17.21	0.79
Completeness [%]	95.9	80.9
Redundancy	6.55	4.77
CC(1/2)	1.000	0.300

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	28% PEG3350, 1.0 M NaCl, 0.1 M Tris pH 7.0. Grown from seed crystals grown in 28% PEG3350, 0.8 M NaCl, 0.1 M Tris pH 7.0.