2W5X

Structure of TAB5 alkaline phosphatase mutant His 135 Glu with Mg bound in the M3 site.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-2
Synchrotron site	ESRF
Beamline	ID14-2
Temperature [K]	100
Detector technology	CCD
Detector	ADSC CCD
Spacegroup name	P 21 21 2
Unit cell lengths	70.420, 173.190, 55.440
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.650 - 1.990
R-factor	0.162
Rwork	0.161
R-free	0.20400
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.003
Data reduction software	XDS
Data scaling software	SCALA
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall
Low resolution limit [Å]	46.570
High resolution limit [Å]	1.890
Rmerge	0.100
Number of reflections	96727
<I/σ(I)>	9.6
Completeness [%]	99.8
Redundancy	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1				20.00MM TRIS-CL PH8.0, 10.00MM MGCL2, 0.01MM ZNCL2, 23.00% PEG 3350, 0.20MM SODIUM ACETATE, 0.10MM SODIUM CACODYLATE, PH 6.5