2W5V

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	CCD
Detector	ADSC CCD
Spacegroup name	P 21 21 2
Unit cell lengths	70.320, 173.020, 54.970
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.400 - 1.780
R-factor	0.161
Rwork	0.159
R-free	0.19900
Structure solution method	OTHER
Starting model (for MR)	NONE
RMSD bond length	0.006
RMSD bond angle	1.021
Data reduction software	XDS
Data scaling software	SCALA
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall
Low resolution limit [Å]	46.370
High resolution limit [Å]	1.780
Rmerge	0.130
Number of reflections	121795
<I/σ(I)>	10.7
Completeness [%]	98.0
Redundancy	7

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