10TY

Tissue Non-specific Alkaline Phosphatase -S110A bound to PPi with ethylene glycol

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	66.270, 118.676, 346.968
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.690 - 2.280
R-factor	0.2116
Rwork	0.211
R-free	0.24940
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.567
Data reduction software	DIALS (3.16.1)
Data scaling software	DIALS (3.16.1)
Phasing software	PHENIX (1.20.1_4487)
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.690	2.340
High resolution limit [Å]	2.280	2.280
Rpim	0.100	1.800
Number of reflections	125850	12396
<I/σ(I)>	4.44
Completeness [%]	99.2
Redundancy	13.2
CC(1/2)	0.990	0.340

Crystallization Conditions

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