8BZL

Human 20S Proteasome in complex with peptide activator peptide BLM42

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	2018-04-04
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9763
Spacegroup name	P 21 21 21
Unit cell lengths	113.915, 203.262, 316.421
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	107.123 - 2.140
Rwork	0.196
R-free	0.22610
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.892
Data reduction software	XDS (Jan 10, 2022)
Data scaling software	Aimless (0.7.8)
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0352)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	107.181	107.181	2.295
High resolution limit [Å]	2.140	6.313	2.140
Rmerge	0.137	0.063	1.418
Rmeas	0.147	0.068	1.525
Rpim	0.055	0.026	0.558
Total number of observations	2327154	114196	121548
Number of reflections	327921	16396	16397
<I/σ(I)>	6.65	12.41	1.53
Completeness [%]	94.5	99.8	62.9
Completeness (spherical) [%]	81.6	99.8	21.7
Completeness (ellipsoidal) [%]	94.5	99.8	62.9
Redundancy	7.1	6.96	7.41
CC(1/2)	0.995	0.996	0.635
Anomalous completeness (spherical)	81.2	100.0	21.6
Anomalous completeness	94.5	100.0	63.7
Anomalous redundancy	3.6	3.8	3.8
CC(ano)	-0.256	-0.252	-0.012
|DANO|/σ(DANO)	0.6	0.3	0.6

Diffraction limits	Principal axes of ellipsoid fitted to diffraction cut-off surface
2.395 Å	1.000, 1.000, 1.000
2.140 Å	0.000, 0.000, 0.000
2.248 Å	0.000, 0.000, 0.000
Criteria used in determination of diffraction limits	local <I/sigmaI> ≥ 1.2

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