7YZZ

Crystal structure of Vibrio alkaline phosphatase in 0.5 M NaCl

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, DESY BEAMLINE P11
Synchrotron site	PETRA III, DESY
Beamline	P11
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-04-20
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	1.033
Spacegroup name	P 1 21 1
Unit cell lengths	77.080, 84.740, 85.230
Unit cell angles	90.00, 113.48, 90.00

Refinement procedure

Resolution	39.310 - 1.290
R-factor	0.121
Rwork	0.121
R-free	0.13870
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3e2d
RMSD bond length	0.010
RMSD bond angle	1.106
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]	39.310	1.320
High resolution limit [Å]	1.290	1.290
Rmeas	0.057
Number of reflections	1574856	53734
<I/σ(I)>	15.32
Completeness [%]	96.8
Redundancy	6.45
CC(1/2)	0.999	0.584

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	26% PEG3350, 0.5 M NaCl, 1.0 M Tris pH 7.0