4U32

Human mesotrypsin complexed with HAI-2 Kunitz domain 1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	OTHER
Temperature [K]	100
Detector technology	CCD
Collection date	2013-11-10
Detector	ADSC QUANTUM 315
Wavelength(s)	1.07
Spacegroup name	P 21 21 21
Unit cell lengths	37.194, 70.190, 123.033
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.000 - 1.650
R-factor	0.18152
Rwork	0.180
R-free	0.21282
RMSD bond length	0.022
RMSD bond angle	2.136
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	1.500
Number of reflections	36369
<I/σ(I)>	2
Completeness [%]	92.0
Redundancy	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	5.5	293	0.1 M trisodium citrate pH 5.5, 10% (w/v) PEG 4000, and 0.2 M sodium acetate