9I6C

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X13
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X13
Temperature [K]	100
Detector technology	CCD
Collection date	2010-12-15
Detector	MAR CCD 165 mm
Wavelength(s)	0.8123
Spacegroup name	C 2 2 21
Unit cell lengths	60.780, 86.410, 132.350
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.640 - 2.080
R-factor	0.17079
Rwork	0.168
R-free	0.21772
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	autoPROC
Data scaling software	pointless
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0425)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.190
High resolution limit [Å]	2.080	2.080
Rmerge	0.164	0.569
Number of reflections	21042	2742
<I/σ(I)>	8.9
Completeness [%]	98.2
Redundancy	4.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293.15	1.8 M Ammonium sulfate, 0.1 M Tris-HCl