1SJ2

Crystal structure of Mycobacterium tuberculosis catalase-peroxidase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SRS BEAMLINE PX14.1
Synchrotron site	SRS
Beamline	PX14.1
Temperature [K]	100
Detector technology	CCD
Collection date	2003-11-11
Detector	ADSC QUANTUM 4
Wavelength(s)	1.488
Spacegroup name	P 42 21 2
Unit cell lengths	150.330, 150.330, 154.281
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	23.710 - 2.410
Rwork	0.211
R-free	0.26800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1MWV
RMSD bond length	0.009
RMSD bond angle	1.400
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	23.710	2.490
High resolution limit [Å]	2.410	2.410
Number of reflections	61822
<I/σ(I)>	11.2	4.2
Completeness [%]	90.4	89.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	293	PEG 3350, Sodium acetate, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K