1YWF

Crystal Structure of Mycobacterium Tuberculosis Protein Tyrosine Phosphatase PtpB

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	93
Detector technology	CCD
Collection date	2004-11-06
Detector	ADSC QUANTUM 4
Wavelength(s)	1.1157, 0.97949, 0.97973, 0.93927
Spacegroup name	I 41
Unit cell lengths	113.068, 113.068, 53.292
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	79.000 - 1.710
R-factor	0.17755
Rwork	0.176
R-free	0.21361
Structure solution method	MAD
RMSD bond length	0.016
RMSD bond angle	1.676
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	REFMAC (5.1.24)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	79.000	1.760
High resolution limit [Å]	1.700	1.700
Rmerge	0.041
Number of reflections	33939
<I/σ(I)>	66.7
Completeness [%]	91.2	48.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	277	0.05M KH2PO4, 20% PEG8000, 10mM NaAcetate, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K