2W5W

Structure of TAB5 alkaline phosphatase mutant His 135 Asp with Zn 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	70.110, 173.320, 55.190
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.330 - 1.790
R-factor	0.14
Rwork	0.140
R-free	0.17000
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.147
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]	1.690
Rmerge	0.110
Number of reflections	145415
<I/σ(I)>	13.3
Completeness [%]	99.6
Redundancy	7.1

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