7JWX

Crystal Structure of Trypsin Bound O-methyl Benzamidine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU R-AXIS IV
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2020-07-27
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	C 1 2 1
Unit cell lengths	189.270, 70.320, 137.740
Unit cell angles	90.00, 133.00, 90.00

Refinement procedure

Resolution	38.580 - 2.380
R-factor	0.2141
Rwork	0.212
R-free	0.25540
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1f2s
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.460
High resolution limit [Å]	2.380	2.380
Rmerge	0.066	0.269
Rmeas	0.080	0.330
Number of reflections	52631	3703
<I/σ(I)>	13.4	4
Completeness [%]	98.5	93.6
Redundancy	3.07	2.85
CC(1/2)	0.997	0.928

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	293	1.9M (NH4)2 SO4, 50mM MES pH 6.0, 2mM O-methyl Benzamidine