6GFI

Structure of Human Mesotrypsin in complex with APPI variant T11V/M17R/I18F/F34V

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-10-27
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.9762
Spacegroup name	P 31
Unit cell lengths	53.215, 53.215, 237.163
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.086 - 2.300
R-factor	0.2488
Rwork	0.245
R-free	0.30120
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5c67
RMSD bond length	0.013
RMSD bond angle	1.276
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.090	2.380
High resolution limit [Å]	2.300	2.300
Rpim	0.033	0.269
Number of reflections	33309
<I/σ(I)>	10.9
Completeness [%]	99.7
Redundancy	8.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1M Sodium Chloride, 0.1M Bis-Tris pH 6.8 , 1.42M Ammonium Sulfate