5WI6

Human beta-1 tryptase mutant Ile99Cys

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	110
Detector technology	CCD
Collection date	2015-08-12
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.00000
Spacegroup name	P 32 2 1
Unit cell lengths	96.743, 96.743, 238.553
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	37.570 - 2.720
R-factor	0.194
Rwork	0.193
R-free	0.22700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1a0l
RMSD bond length	0.009
RMSD bond angle	1.090
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	BUSTER (2.11.6)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.570	2.729
High resolution limit [Å]	2.720	2.720
Rpim		0.545
Number of reflections	35616	3836
<I/σ(I)>		2.2
Completeness [%]		100
Redundancy		11.2
CC(1/2)		0.793

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	292	ammonium sulfate, polyethylene glycol 1500