3EU0

Crystal structure of the S-nitrosylated Cys215 of PTP1B

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-002+
Temperature [K]	298
Detector technology	IMAGE PLATE
Collection date	2006-05-10
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.54
Spacegroup name	P 31 2 1
Unit cell lengths	88.720, 88.720, 104.720
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.000 - 2.700
R-factor	0.2046
Rwork	0.202
R-free	0.24600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1oes
RMSD bond length	0.006
RMSD bond angle	1.307
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.800
High resolution limit [Å]	2.700	2.700
Rmerge	0.100	0.450
Number of reflections	13314
<I/σ(I)>	17.6	3.6
Completeness [%]	98.8	99.1
Redundancy	4.2	4.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	277	18% PEK4K, 0.1M HEPES (pH7.5), 0.2M magnesium acetate, VAPOR DIFFUSION, HANGING DROP, temperature 277K