1LMI

1.5 ANGSTROM RESOLUTION CRYSTAL STRUCTURE OF A SECRETED PROTEIN FROM MYCOBACTERIUM TUBERCULOSIS-MPT63

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X8C
Synchrotron site	NSLS
Beamline	X8C
Temperature [K]	190
Detector technology	CCD
Collection date	2000-10-10
Detector	ADSC QUANTUM 4
Wavelength(s)	0.9792
Spacegroup name	P 65 2 2
Unit cell lengths	43.129, 43.129, 228.798
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 * - 1.500
R-factor	0.1981
Rwork	0.197
R-free	0.24600 *
Structure solution method	AB INITIO
RMSD bond length	0.037
RMSD bond angle	1.483 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MLPHARE
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.000 *	1.580
High resolution limit [Å]	1.500	1.490
Rmerge	0.062	0.190
Total number of observations	20972 *
Number of reflections	2537 *
<I/σ(I)>	29.9	6.18
Completeness [%]	97.3 *	92.7 *
Redundancy	18	14

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	298	26.5% PEG4000, 0.1M Tris/HCl, 15% glycerol, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	60 (mg/ml)
2	1	reservoir	PEG4000	26.5 (%)
3	1	reservoir	Tris-HCl	0.1 (M)	pH7.0
4	1	reservoir	glycerol	15 (%)