5M2B

Yeast 20S proteasome with human beta5i (1-138) and human beta6 (97-111; 118-133) in complex with thiazole based inhibitor Ro19

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-08-29
Detector	PSI PILATUS 6M
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	135.160, 301.150, 145.980
Unit cell angles	90.00, 112.81, 90.00

Refinement procedure

Resolution	15.000 - 2.700
R-factor	0.2007
Rwork	0.200
R-free	0.21803
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5l5b
RMSD bond length	0.004
RMSD bond angle	0.911
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	REFMAC
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.800
High resolution limit [Å]	2.700	2.700
Rmerge	0.073	0.517
Number of reflections	872763
<I/σ(I)>	12.2	3.1
Completeness [%]	96.5	98
Redundancy	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.8	293	20 mM MgAC2, 13% MPD, 0.1 M MES