9GOI

StmPr1, Stenotrophomonas maltophilia Protease 1, 36 kDa alkine serine protease in complex with Bortezomib

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, DESY BEAMLINE P11
Synchrotron site	PETRA III, DESY
Beamline	P11
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-06-15
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	1.033200
Spacegroup name	C 2 2 21
Unit cell lengths	60.455, 86.776, 131.327
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.450 - 1.890
R-factor	0.20847
Rwork	0.208
R-free	0.25134
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	autoPROC
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0425)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.450	2.030
High resolution limit [Å]	1.890	1.890
Rmerge	0.129	0.541
Rmeas	0.150	0.637
Rpim	0.077	0.331
Number of reflections	105855	10635
<I/σ(I)>	7.7	2.5
Completeness [%]	98.7	99.6
Redundancy	3.7	3.6
CC(1/2)	0.997	0.825

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	293.15	0.9 M ammonium sulfate 0.4 M lithium sulfate 0.1 M sodium citrate