5LYO

Crystal structure of the zymogen matriptase catalytic domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM14
Synchrotron site	ESRF
Beamline	BM14
Temperature [K]	293
Detector technology	PIXEL
Collection date	2015-02-20
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.9762
Spacegroup name	P 31 2 1
Unit cell lengths	109.170, 109.170, 124.468
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.272 - 2.498
R-factor	0.2169
Rwork	0.214
R-free	0.26290
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4isn
RMSD bond length	0.020
RMSD bond angle	1.998
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.650
High resolution limit [Å]	2.495	2.495
Rmeas	0.194
Number of reflections	56209
<I/σ(I)>	6.08
Completeness [%]	97.6
Redundancy	2.88

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1 M MES 6.5, 2.0 M ammonium sulfate