5LF7

Human 20S proteasome complex with Ixazomib at 2.0 Angstrom

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P14 (MX2)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-08-20
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9763
Spacegroup name	P 21 21 21
Unit cell lengths	113.410, 202.610, 314.510
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	170.330 - 2.000
R-factor	0.17736
Rwork	0.175
R-free	0.21334
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	5le5
RMSD bond length	0.019
RMSD bond angle	1.938
Data reduction software	XDS
Data scaling software	XSCALE
Refinement software	REFMAC (5.8.0103)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	170.330	2.052
High resolution limit [Å]	2.000	2.000
Rmerge	0.099
Number of reflections	459122
<I/σ(I)>	14.6	1
Completeness [%]	99.6	98.3
Redundancy	6.6
CC(1/2)	1.000	0.290

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	291	0.1 M Bis-Tris, 0.2 M Magnesium Chloride, 10 % PEG3350