10TV

Tissue Non-specific Alkaline Phosphatase -S110A bound to phosphocreatine

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	2023-04-20
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.18
Spacegroup name	P 21 21 21
Unit cell lengths	66.329, 119.117, 346.120
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.640 - 2.260
R-factor	0.1793
Rwork	0.179
R-free	0.21570
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.005
Data reduction software	DIALS (3.16.1)
Data scaling software	DIALS (3.16.1)
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.640	2.340
High resolution limit [Å]	2.260	2.260
Rpim	0.090	0.800
Number of reflections	128746	12031
<I/σ(I)>	7.2
Completeness [%]	99.0	90.48
Redundancy	12.4	8
CC(1/2)	0.990	0.350

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, 5% glycerol, 14-16% PEG 10,000