3FP9

Crystal structure of Intern Domain of proteasome-associated ATPase, Mycobacterium tuberculosis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X25
Synchrotron site	NSLS
Beamline	X25
Temperature [K]	100
Detector technology	CCD
Collection date	2008-11-24
Detector	ADSC QUANTUM 315
Wavelength(s)	1.000
Spacegroup name	P 1 21 1
Unit cell lengths	74.860, 74.994, 200.846
Unit cell angles	90.00, 90.32, 90.00

Refinement procedure

Resolution	20.000 - 2.000
R-factor	0.21556
Rwork	0.213
R-free	0.26632
Structure solution method	SIR/AS + MR
RMSD bond length	0.018
RMSD bond angle	1.682
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SOLVE
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.070
High resolution limit [Å]	2.000	2.000
Rmerge	0.190	0.500
Number of reflections	147655
<I/σ(I)>		2.5
Completeness [%]	98.0	89
Redundancy	7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	294	20% PEG2000, 50 mM MgCl2, 50 mM NaCl, 0.1M MES, C-HEGA, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 294K
1	VAPOR DIFFUSION, HANGING DROP	6	294	20% PEG2000, 50 mM MgCl2, 50 mM NaCl, 0.1M MES, C-HEGA, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 294K
1	VAPOR DIFFUSION, HANGING DROP	6	294	20% PEG2000, 50 mM MgCl2, 50 mM NaCl, 0.1M MES, C-HEGA, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 294K
1	VAPOR DIFFUSION, HANGING DROP	6	294	20% PEG2000, 50 mM MgCl2, 50 mM NaCl, 0.1M MES, C-HEGA, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 294K