5EG4

BOVINE TRYPSIN IN COMPLEX WITH CYCLIC INHIBITOR

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.2
Synchrotron site	BESSY
Beamline	14.2
Temperature [K]	100
Detector technology	CCD
Collection date	2013-07-18
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.91841
Spacegroup name	P 41 21 2
Unit cell lengths	61.502, 61.502, 102.239
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.656 - 1.320
R-factor	0.1818
Rwork	0.180
R-free	0.21850
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2agg
RMSD bond length	0.007
RMSD bond angle	0.968
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.350
High resolution limit [Å]	1.320	1.320
Rmerge		0.480
Number of reflections	43989
<I/σ(I)>	25.6	2.6
Completeness [%]	93.8	99.7
Redundancy	4.2	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	289	1.7 M (NH4)2SO4, 18 mM CaCl2, 50 mM Sodium acetate