3M9H

Crystal structure of the amino terminal coiled coil domain of the Mycobacterium tuberculosis proteasomal ATPase Mpa

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	2010-01-30
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9795
Spacegroup name	F 2 2 2
Unit cell lengths	80.752, 114.164, 114.490
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.000 - 2.000
R-factor	0.209
Rwork	0.206
R-free	0.27400
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.023
RMSD bond angle	1.842
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	2.030
High resolution limit [Å]	2.000	2.000
Rmerge	0.085	0.541
Number of reflections	17050
Completeness [%]	99.0	99
Redundancy	14.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	293	0.1M sodium citrate, 2.1M ammonium sulfate, 0.24M sodium/potassium tartrate 0.25M sodium chloride, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
1	VAPOR DIFFUSION, HANGING DROP	5.5	293	0.1M sodium citrate, 2.1M ammonium sulfate, 0.24M sodium/potassium tartrate 0.25M sodium chloride, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
1	VAPOR DIFFUSION, HANGING DROP	5.5	293	0.1M sodium citrate, 2.1M ammonium sulfate, 0.24M sodium/potassium tartrate 0.25M sodium chloride, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K