4Q7Z

Neutrophil serine protease 4 (PRSS57) with phe-phe-arg-chloromethylketone (FFR-cmk)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL7-1
Synchrotron site	SSRL
Beamline	BL7-1
Temperature [K]	110
Detector technology	CCD
Collection date	2012-07-05
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.127092
Spacegroup name	P 21 21 21
Unit cell lengths	54.986, 64.466, 68.383
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.910 - 1.400
R-factor	0.19352
Rwork	0.192
R-free	0.21472
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1hne
RMSD bond length	0.008
RMSD bond angle	1.304
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall
Low resolution limit [Å]	46.920
High resolution limit [Å]	1.400
Number of reflections	45530
<I/σ(I)>	34.3
Completeness [%]	93.5
Redundancy	7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	292	20% PEG-MME 2000, 0.1 M Tris 8.5, 0.2 M trimethylamine N-oxide, VAPOR DIFFUSION, SITTING DROP, temperature 292K