1BF6

PHOSPHOTRIESTERASE HOMOLOGY PROTEIN FROM ESCHERICHIA COLI

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU RUH2R
Temperature [K]	105
Detector technology	IMAGE PLATE
Collection date	1996-10
Detector	RIGAKU RAXIS II
Spacegroup name	P 1 21 1
Unit cell lengths	42.070, 80.800, 98.200
Unit cell angles	90.00, 97.10, 90.00

Refinement procedure

Resolution	50.000 - 1.700
R-factor	0.204
Rwork	0.204
R-free	0.24100
Structure solution method	MIR
RMSD bond length	0.008
RMSD bond angle	22.400 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASES
Refinement software	X-PLOR (3.8)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.800
High resolution limit [Å]	1.700	1.700
Rmerge	0.075	0.240
Total number of observations	286468 *
Number of reflections	69475
<I/σ(I)>	10.6	3
Completeness [%]	96.0	78
Redundancy	4	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7.5		pH 7.5

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	15 (mg/ml)
2	1	reservoir	ammonium sulfate	1.5 (M)
3	1	reservoir	MPD	10 (%)
4	1	reservoir		0.1 (mM)
5	1	reservoir	HEPES	50 (mM)