1YS3

Crystal Structure of the ATP binding domain of PrrB from Mycobacterium Tuberculosis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	100
Detector technology	CCD
Collection date	2004-03-20
Detector	ADSC QUANTUM 210
Wavelength(s)	1.00
Spacegroup name	P 65
Unit cell lengths	61.476, 61.476, 211.333
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.970 - 1.900
R-factor	0.18851
Rwork	0.186
R-free	0.23523
Structure solution method	SAD
RMSD bond length	0.022
RMSD bond angle	1.901
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHELXS
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.970
High resolution limit [Å]	1.900	1.900
Number of reflections	32808
<I/σ(I)>	31.5	2
Completeness [%]	97.7	87.1
Redundancy	8.27	8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	292	PEG200DME, Ca acetate, Bis Tris Propane, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 292K
1	VAPOR DIFFUSION, HANGING DROP	8	292	PEG200DME, Ca acetate, Bis Tris Propane, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 292K