1IHP

STRUCTURE OF PHOSPHOMONOESTERASE

Experimental procedure

Source type	ROTATING ANODE
Source details	OTHER
Temperature [K]	273
Detector technology	IMAGE PLATE
Detector	MARRESEARCH
Spacegroup name	P 3 2 1
Unit cell lengths	92.250, 92.250, 100.890
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	25.000 - 2.500
R-factor	0.155
Rwork	0.155
R-free	0.21100
Structure solution method	SIRAS
RMSD bond length	0.009
RMSD bond angle	22.800 *
Data reduction software	XDS
Data scaling software	XDS
Phasing software	X-PLOR (3.1)
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	2.600
High resolution limit [Å]	2.500	2.500
Rmerge	0.056 *
Total number of observations	79917 *
Number of reflections	17223
<I/σ(I)>	28	7
Completeness [%]	97.7	93.8
Redundancy	4.6	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	unknown *