3MKA

Crystal Structure of Mycobacterium Tuberculosis Proteasome with propetide and an T1A mutation at beta-subunit

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	2009-09-06
Detector	ADSC QUANTUM 315
Wavelength(s)	1.000
Spacegroup name	P 1 21 1
Unit cell lengths	173.927, 115.420, 199.576
Unit cell angles	90.00, 112.89, 90.00

Refinement procedure

Resolution	29.770 - 2.510
R-factor	0.217
Rwork	0.217
R-free	0.24700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2fhg
RMSD bond length	0.016
RMSD bond angle	1.700
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.000	2.590
High resolution limit [Å]	2.500	2.500
Rmerge	0.144	0.405
Number of reflections	219931
<I/σ(I)>	14.6	1.56
Completeness [%]	94.3	75.9
Redundancy	8.6	2.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.7	277	60 mM sodium citrate (pH 5.7), 100 mM Glycine, and 14% PEG 6000, 100mM NaCl, VAPOR DIFFUSION, SITTING DROP, temperature 277.0K
1	VAPOR DIFFUSION, SITTING DROP	5.7	277	60 mM sodium citrate (pH 5.7), 100 mM Glycine, and 14% PEG 6000, 100mM NaCl, VAPOR DIFFUSION, SITTING DROP, temperature 277.0K