3F9B

W354F Yersinia enterocolitica PTPase complexed with divanadate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Detector technology	CCD
Collection date	2008-01-19
Detector	ADSC QUANTUM 315
Wavelength(s)	1.0809
Spacegroup name	P 21 21 21
Unit cell lengths	54.196, 58.191, 90.347
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.100 - 1.420
R-factor	0.174
Rwork	0.173
R-free	0.19600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ypt
RMSD bond length	0.007
RMSD bond angle	1.353
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	1.470
High resolution limit [Å]	1.420	3.060	1.420
Rmerge	0.065	0.057	0.271
Number of reflections	54027
<I/σ(I)>	30.828
Completeness [%]	98.8	100	89.5
Redundancy	8.3	13.2	4.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	Drop: 2uL of protein solution (20mg/mL in 100mM Sodium acetate, 100mM NaCl, 1mM EDTA, 1mM DTT, pH 5.7), 0.5uL of 55mM Sodium vanadate, and 3uL of precipitant solution (12-19% PEG 3350, 0.1M Hepes pH 7.5). Well: 1000uL of precipitant solution, VAPOR DIFFUSION, HANGING DROP, temperature 298K