4KM4

E. coli alkaline phosphatase mutant S102G/R166S in complex with inorganic phosphate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	CCD
Collection date	2011-06-06
Wavelength(s)	0.9795
Spacegroup name	P 63 2 2
Unit cell lengths	160.935, 160.935, 139.549
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	50.000 - 2.800
Rwork	0.232
R-free	0.29611
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1alk
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	FFX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.910
High resolution limit [Å]	2.800	2.800
Rmerge	0.337
Number of reflections	26488
<I/σ(I)>	13.8	3.9
Completeness [%]	99.2	98.5
Redundancy	20.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	291	Equal parts 23.5 mg/mL enzyme in 10 mM NaMOPS and 50 mM NaCl and 0.2 M NH4F, 17-21% PEG 3350, and 500 uM ZnCl2, pH 8, VAPOR DIFFUSION, SITTING DROP, temperature 291K