2G5F

The structure of MbtI from Mycobacterium Tuberculosis, the first enzyme in the synthesis of Mycobactin, reveals it to be a salicylate synthase

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-4
Synchrotron site	ESRF
Beamline	ID14-4
Temperature [K]	100
Detector technology	CCD
Collection date	2003-07-04
Detector	ADSC QUANTUM 4
Wavelength(s)	0.9393
Spacegroup name	P 21 21 21
Unit cell lengths	51.820, 163.370, 194.930
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 1.800
R-factor	0.208
Rwork	0.205
R-free	0.24000
Structure solution method	MAD
Data reduction software	MOSFLM
Data scaling software	CCP4 ((SCALA))
Phasing software	SHARP
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.900
High resolution limit [Å]	1.800	1.800
Number of reflections	154236
Completeness [%]	26.0	97.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	316	15% PEG 4000, 0.2M Immadazole/malate, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 316K
1	VAPOR DIFFUSION, SITTING DROP	6	316	15% PEG 4000, 0.2M Immadazole/malate, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 316K