6ODE

Crystal Structure of Mycobacterium tuberculosis Proteasome in Complex with Phenylimidazole-based Inhibitor B6

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 31-ID
Synchrotron site	APS
Beamline	31-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-07-15
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.97931
Spacegroup name	P 1 21 1
Unit cell lengths	120.603, 198.380, 166.513
Unit cell angles	90.00, 103.10, 90.00

Refinement procedure

Resolution	53.973 - 2.900
R-factor	0.1991
Rwork	0.197
R-free	0.24730
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ts0
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	57.620	3.060
High resolution limit [Å]	2.900	2.900
Rmerge	0.179	0.630
Number of reflections	168353	24489
<I/σ(I)>	6.6	2.1
Completeness [%]	99.9	99.8
Redundancy	3.8	3.8
CC(1/2)	0.973	0.639

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.2	277	60 mM sodium citrate, pH 6.2, 14% PEG3350