2HPA

STRUCTURAL ORIGINS OF L(+)-TARTRATE INHIBITION OF HUMAN PROSTATIC ACID PHOSPHATASE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	123
Detector technology	IMAGE PLATE
Detector	RIGAKU RAXIS IV
Spacegroup name	P 21 21 21
Unit cell lengths	119.860, 202.680, 71.110
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.000 - 2.900
R-factor	0.211
Rwork	0.211
R-free	0.30800
Structure solution method	OTHER
RMSD bond length	0.034
RMSD bond angle	23.200 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	99.000
High resolution limit [Å]	2.900	2.880 *
Rmerge	0.138
Total number of observations	224797 *
Number of reflections	39548
Completeness [%]	98.5	60 *
Redundancy	5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	unknown *	10		pH 10

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	PEG1500	30 (%)
2	1	1	PEG1000	7 (%)
3	1	1		100 (mM)
4	1	1	glycine	100 (mM)