2GA3

Structure of S102T E. coli Alkaline Phosphatase-phosphate intermediate at 2.20A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	93
Detector technology	IMAGE PLATE
Collection date	2004-02-26
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	I 2 2 2
Unit cell lengths	76.230, 164.970, 192.900
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	14.980 - 2.200
R-factor	0.192
Rwork	0.192
R-free	0.22900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1y6v
RMSD bond length	0.005
RMSD bond angle	1.330
Data reduction software	d*TREK
Data scaling software	d*TREK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	14.980	2.280
High resolution limit [Å]	2.200	2.200
Rmerge	0.077	0.352
Number of reflections	55150
<I/σ(I)>	11.3
Completeness [%]	89.2	92.6
Redundancy	3.47	3.33

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9.5	293	2.0M ammonium sulfate, 100mM Tris, 10mM magnesium chloride, 0.01mM zinc chloride, pH 9.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K