1DKL

CRYSTAL STRUCTURE OF ESCHERICHIA COLI PHYTASE AT PH 4.5 (NO LIGAND BOUND)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	277
Detector technology	IMAGE PLATE
Collection date	1997-07-21
Detector	MARRESEARCH
Spacegroup name	P 1 21 1
Unit cell lengths	74.802, 72.126, 82.434
Unit cell angles	90.00, 92.04, 90.00

Refinement procedure

Resolution	25.000 - 2.300
R-factor	0.157
Rwork	0.157
R-free	0.20200
RMSD bond length	0.007
RMSD bond angle	1.400
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (0.5)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	2.380
High resolution limit [Å]	2.300	2.300
Rmerge	0.085	0.231
Number of reflections	37076
<I/σ(I)>	12.46
Completeness [%]	95.0	97
Redundancy	2.9	2.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	6.6 *	273	SODIUM ACETATE, pH 4.5, SMALL TUBES, temperature 273K

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)