1NH8

ATP PHOSPHORIBOSYLTRANSFERASE (ATP-PRTASE) FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH AMP AND HISTIDINE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 14-BM-C
Synchrotron site	APS
Beamline	14-BM-C
Temperature [K]	100
Detector technology	CCD
Collection date	2001-08-25
Detector	ADSC QUANTUM 4
Wavelength(s)	1.0
Spacegroup name	H 3 2
Unit cell lengths	113.754, 113.754, 124.254
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 1.800
R-factor	0.19946
Rwork	0.198
R-free	0.23600 *
Structure solution method	MAD
RMSD bond length	0.014
RMSD bond angle	1.500 *
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	SHARP
Refinement software	REFMAC (5.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.700	1.846
High resolution limit [Å]	1.800	1.800
Rmerge	0.047 *	0.134 *
Number of reflections	37740
Completeness [%]	97.5 *	99.5 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	16 *	Lithium sulfate, Ammonium sulfate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 288K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	sodium citrate	0.1 (M)	pH5.6
2	1	drop	ammonium sulfate	0.5 (M)
3	1	drop	lithium sulfate	1.0 (M)
4	1	reservoir	AMP	5 (mM)
5	1	reservoir	histidine	0.1 (mM)