9GRG

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

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)	1.0332
Spacegroup name	C 2 2 21
Unit cell lengths	59.902, 85.747, 130.747
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.154 - 1.890
Rwork	0.175
R-free	0.23540
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.718
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]	49.154	2.030
High resolution limit [Å]	1.890	1.890
Rmerge	0.113	0.412
Rmeas	0.121	0.446
Rpim	0.045	0.169
Number of reflections	54075	5384
<I/σ(I)>	11.6	4.9
Completeness [%]	99.7	99.7
Redundancy	7.2	6.9
CC(1/2)	0.999	0.960

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 acetate