5PNT

CRYSTAL STRUCTURE OF A HUMAN LOW MOLECULAR WEIGHT PHOSPHOTYROSYL PHOSPHATASE. IMPLICATIONS FOR SUBSTRATE SPECIFICITY

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU RUH2R
Temperature [K]	295
Detector technology	IMAGE PLATE
Collection date	1995-02
Detector	RIGAKU RAXIS IIC
Spacegroup name	P 21 21 21
Unit cell lengths	34.100, 56.600, 97.300
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	6.000 - 2.200
R-factor	0.181
Rwork	0.181
R-free	0.24800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1pnt
RMSD bond length	0.015
RMSD bond angle	2.018
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR (3.8)
Refinement software	X-PLOR (3.8)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.240
High resolution limit [Å]	2.200	2.200
Rmerge	0.077	0.245
Total number of observations	102917 *
Number of reflections	9356
<I/σ(I)>	10	10
Completeness [%]	92.2	64
Redundancy	10	10

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	6.5		used to seeding *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	drop	mPEG5000	30 (%)
3	1	drop	ammonium sulfate	200 (mM)
4	1	drop	MES	100 (mM)	pH6.5