3S4O

Protein Tyrosine Phosphatase (putative) from Leishmania major

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2005-07-11
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97955, 0.97967, 0.95369
Spacegroup name	P 21 21 21
Unit cell lengths	42.518, 69.420, 118.931
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.160 - 2.300
R-factor	0.2086
Rwork	0.206
R-free	0.24830
Structure solution method	MAD
RMSD bond length	0.010
RMSD bond angle	1.205
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHELX (+ phaser)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.240
High resolution limit [Å]	2.160	4.650	2.160
Rmerge	0.112	0.128	0.230
Number of reflections	17137
<I/σ(I)>	12.6
Completeness [%]	87.6	99.4	48.3
Redundancy	5.9	6.3	2.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	5	293	protein buffer 25 mM HEPES pH 7.5, 500 mM NaCl, crystallization buffer 100 mM Sodium thiosulfate pentahydrate, 100 mM HEPES pH 7.0, 35% PEG 4000, vapor diffusion, temperature 293K