1B8J

ALKALINE PHOSPHATASE COMPLEXED WITH VANADATE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	295
Detector technology	AREA DETECTOR
Collection date	1997-05
Detector	SDMS
Spacegroup name	I 2 2 2
Unit cell lengths	195.410, 167.810, 76.520
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.000 - 1.900
R-factor	0.177 *
Rwork	0.177
R-free	0.19600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1alk
RMSD bond length	0.019
RMSD bond angle	24.700 *
Data reduction software	SDMS
Data scaling software	SDMS
Phasing software	X-PLOR (3.1 (MSI))
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	26.420	2.050
High resolution limit [Å]	1.950	1.900
Rmerge	0.064	0.390
Total number of observations	266977 *
Number of reflections	93722
<I/σ(I)>	6.6	0.92
Completeness [%]	94.6	85.3
Redundancy	2.8	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	9.5 *		CRYSTALLIZATION CONDITIONS: 65 % SATURATING (NH4)2SO4, 100 MM TRIS, 10 MM MGCL2, 1 MM ZNCL2, 0.1 MM NH4VO3, PH 7.5

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	enzyme	30 (mg/ml)
2	1	drop	ammonium sulfate	20 (%sat)
3	1	drop	Tris-HCl	100 (mM)
4	1	drop		10 (mM)
5	1	drop		0.01 (mM)
6	1	reservoir	ammonium sulfate	36-39 (%sat)