1DKN

CRYSTAL STRUCTURE OF ESCHERICHIA COLI PHYTASE AT PH 5.0 WITH HG2+ CATION ACTING AS AN INTERMOLECULAR BRIDGE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1999-07-08
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	70.443, 74.701, 89.829
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.000 - 2.400
R-factor	0.223
Rwork	0.223
R-free	0.26800
RMSD bond length	0.007
RMSD bond angle	23.000 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	CNS (0.5)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	2.490
High resolution limit [Å]	2.400	2.400
Rmerge	0.036	0.152
Number of reflections	33792
<I/σ(I)>	16.15
Completeness [%]	92.9	82.5
Redundancy	2	1.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	6.6	298	ETHYLENE GLYCOL, GLYCEROL, 2-MORPHOLINOPROPANESULFONIC ACID, MERCURIC CHLORIDE, pH 6.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	72 (mg/ml)
2	1	drop		2.5 (mM)
3	1	reservoir	ethylene glycol	28 (%)
4	1	reservoir	glycerol	18 (%)
5	1	reservoir	Mops	33 (mM)