1EW8

ALKALINE PHOSPHATASE (E.C. 3.1.3.1) COMPLEX WITH PHOSPHONOACETIC ACID

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	295
Detector technology	AREA DETECTOR
Collection date	1996-06-05
Detector	UCSD MARK III
Spacegroup name	I 2 2 2
Unit cell lengths	194.770, 167.190, 76.590
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	12.000 - 2.200
R-factor	0.196
Rwork	0.189
R-free	0.25700
RMSD bond length	0.020 *
RMSD bond angle	1.920 *
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	2.370
High resolution limit [Å]	2.200	2.200
Rmerge	0.078	0.280
Total number of observations	180502 *
Number of reflections	59057
<I/σ(I)>	6.6
Completeness [%]	92.6	79.6 *
Redundancy	3.1	2.0 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9.5	298	enzyme: 30 mg/mL; buffer: 40% saturating ammonium sulfate/100 mM Tris/10 mM MgSO4, pH 9.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K

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