7S4F

Protein Tyrosine Phosphatase 1B - F182Q mutant bound with Hepes

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2007-06-20
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.55
Spacegroup name	P 31 2 1
Unit cell lengths	88.316, 88.316, 103.895
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	22.887 - 1.650
R-factor	0.181
Rwork	0.180
R-free	0.20310
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3i80
RMSD bond length	0.006
RMSD bond angle	1.034
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.6.4_486)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.710
High resolution limit [Å]	1.650	3.550	1.650
Rmerge	0.048	0.033	0.491
Number of reflections	53917	5717	3773
<I/σ(I)>	24.6
Completeness [%]	94.8	96	67.3
Redundancy	5.2	5.8	3
CC(1/2)	0.701

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	277	2uL of protein solution (12 mg/mL PTP1B F182Q in 10 mM Tris pH 7.5, 25 mM NaCl, 0.2 mM EDTA and 3 mM DTT), 0.5 uL sucrose 30% (w/v) and 3 uL of precipitant solution (0.1 M Hepes pH 7.5, 0.2 M magnesium acetate and 15-20% polyethylene glycol 8000). The well solution was 500 uL of precipitant solution.