10TX

Tissue Non-specific Alkaline Phosphatase -S110A bound to PPi

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08B1-1
Synchrotron site	CLSI
Beamline	08B1-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-06-14
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.18
Spacegroup name	P 21 21 21
Unit cell lengths	66.305, 118.893, 346.483
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.660 - 2.250
R-factor	0.1909
Rwork	0.190
R-free	0.23180
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.930
Data reduction software	DIALS (3.16.1)
Data scaling software	DIALS (3.16.1)
Phasing software	PHENIX (1.19.2_4158)
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.660	2.330
High resolution limit [Å]	2.250	2.250
Rpim	0.096	1.200
Number of reflections	131060	12937
<I/σ(I)>	6.18
Completeness [%]	99.7
Redundancy	13.2
CC(1/2)	0.994	0.345

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	0.15 M phosphate/citrate pH 4.0, 0.2 M NaCl, 0-30 mM phosphate, 5% glycerol, 14-16% PEG 10,000