3BII

Crystal Structure of Activated MPT Synthase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X26C
Synchrotron site	NSLS
Beamline	X26C
Temperature [K]	100
Collection date	2002-01-01
Wavelength(s)	1.1
Spacegroup name	C 1 2 1
Unit cell lengths	64.796, 48.735, 74.915
Unit cell angles	90.00, 107.77, 90.00

Refinement procedure

Resolution	40.000 - 2.500
R-factor	0.192
Rwork	0.189
R-free	0.26100
RMSD bond length	0.015
RMSD bond angle	1.520
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.280
High resolution limit [Å]	2.500	4.740	2.200
Rmerge	0.096	0.069	0.308
Number of reflections	9359
<I/σ(I)>	13
Completeness [%]	87.6	99.6	36.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	295	1.1 Ammonium sulfate and .1M HEPES pH=7.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K