6X27

Lon protease proteolytic domain complexed with bortezomib

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.3
Synchrotron site	ALS
Beamline	5.0.3
Temperature [K]	100
Detector technology	CCD
Collection date	2016-07-20
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9765
Spacegroup name	P 43 21 2
Unit cell lengths	175.373, 175.373, 206.189
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.040 - 2.120
R-factor	0.159
Rwork	0.157
R-free	0.19410
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6wys
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	PHENIX (1.17_3644)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.140
High resolution limit [Å]	2.120	6.580	2.120
Rmerge	0.215	0.051	1.047
Rmeas	0.223	0.053	1.095
Rpim	0.058	0.014	0.318
Total number of observations	2654083
Number of reflections	180816	6504	5914
<I/σ(I)>	4.1
Completeness [%]	100.0	99.9	99.7
Redundancy	14.7	14.2	11.7
CC(1/2)		0.999	0.794

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4	293	5.0% polyethylene glycol 6000, 0.1M citric acid