6OCZ

Crystal Structure of Mycobacterium tuberculosis Proteasome in Complex with Phenylimidazole-based Inhibitor A86

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	120.768, 198.062, 167.919
Unit cell angles	90.00, 103.72, 90.00

Refinement procedure

Resolution	42.919 - 2.650
R-factor	0.1867
Rwork	0.184
R-free	0.23550
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.630	2.790
High resolution limit [Å]	2.650	2.650
Rmerge	0.141	0.574
Number of reflections	207497	29158
<I/σ(I)>	6.7	2.1
Completeness [%]	93.8	90.4
Redundancy	3.5	3.4
CC(1/2)	0.983	0.686

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