9LIJ

Crystal structure of oxidized form (C92-C121) of protein tyrosine phosphatase 1B (PTP1B)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	93
Detector technology	PIXEL
Collection date	2015-05-15
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	56.310, 59.830, 88.090
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.690 - 2.300
R-factor	0.2204
Rwork	0.219
R-free	0.24950
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.887
Data reduction software	HKL-2000
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	59.830	2.380
High resolution limit [Å]	2.300	2.300
Rmerge	0.100	0.520
Number of reflections	13120	1257
<I/σ(I)>	12.9
Completeness [%]	95.9
Redundancy	7.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		296	0.01M Hepes pH8.5, 30 % (w/v) PEG 3350, 0.2M magnesium chloride, 70mM lobarstin (M11A) compound