1EW9

ALKALINE PHOSPHATASE (E.C. 3.1.3.1) COMPLEX WITH MERCAPTOMETHYL PHOSPHONATE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	295
Detector technology	AREA DETECTOR
Collection date	1996-08-26
Detector	UCSD MARK III
Spacegroup name	I 2 2 2
Unit cell lengths	194.830, 167.100, 76.670
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	12.000 - 2.000
R-factor	0.175 *
Rwork	0.175
R-free	0.22900
RMSD bond length	0.020 *
RMSD bond angle	2.000 *
Data reduction software	SDMS
Data scaling software	SDMS
Phasing software	X-PLOR
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.150
High resolution limit [Å]	2.000	2.000
Rmerge	0.052	0.257
Total number of observations	202714 *
Number of reflections	78354
<I/σ(I)>	7.2
Completeness [%]	92.6	72.6
Redundancy	2.6	1.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9.5	298	enzyme: 30 mg/mL; buffer: 40% saturated ammonium sulfate, 100 mM Tris/10 mM magnesium sulfate, pH 9.5, VAPOR DIFFUSION, HANGING DROP, temperature 25K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	enzyme	30 (mg/ml)
2	1	reservoir	ammonium sulfate	20 (%sat)
3	1	reservoir	Tris	100 (mM)
4	1	reservoir		10 (mM)
5	1	reservoir		0.01 (mM)	pH9.5