1A5Y

PROTEIN TYROSINE PHOSPHATASE 1B CYSTEINYL-PHOSPHATE INTERMEDIATE

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU RUH2R
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1997-05-01
Detector	MARRESEARCH
Spacegroup name	P 31 2 1
Unit cell lengths	88.280, 88.280, 104.910
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	6.000 - 2.500
R-factor	0.205
Rwork	0.205
R-free	0.28100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2hnp
RMSD bond length	0.011
RMSD bond angle	24.400 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	X-PLOR (3.820)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.590
High resolution limit [Å]	2.500	2.500
Rmerge	0.086	0.313
Total number of observations	67136 *
Number of reflections	16797
<I/σ(I)>	7.3	2.9
Completeness [%]	99.4	98
Redundancy	4	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	7.5	4 *	drop solution was mixed with an equal volume of precipitant *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	reservoir	HEPES	0.1 (M)	precipitant
3	1	reservoir	magnesium acetate	0.2 (M)	precipitant
4	1	reservoir	PEG8000	12-16 (%(w/v))