5LEZ

Human 20S proteasome complex with Oprozomib in Mg-Acetate at 2.2 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	2015-11-10
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9763
Spacegroup name	P 21 21 21
Unit cell lengths	113.860, 203.230, 315.220
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	170.810 - 2.190
R-factor	0.1832
Rwork	0.181
R-free	0.22169
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	5le5
RMSD bond length	0.015
RMSD bond angle	1.746
Data reduction software	XDS
Data scaling software	XSCALE
Refinement software	REFMAC (5.8.0103)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	170.810	2.270
High resolution limit [Å]	2.190	2.190
Rmerge	0.078
Number of reflections	351230
<I/σ(I)>	15.2	1.1
Completeness [%]	99.3	94.3
Redundancy	7.15
CC(1/2)	1.000	0.400

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