4I8L

Bovine trypsin at 0.87 resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	CCD
Collection date	2011-11-23
Detector	ADSC QUANTUM 315
Wavelength(s)	0.6199
Spacegroup name	P 21 21 21
Unit cell lengths	54.219, 58.345, 66.239
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 0.870
Rwork	0.102
R-free	0.11700
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.018
RMSD bond angle	2.200
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	SHELX

Data quality characteristics

	Overall
Low resolution limit [Å]	30.000
High resolution limit [Å]	0.870
Rmerge	0.062
Number of reflections	171309
<I/σ(I)>	39
Completeness [%]	99.6
Redundancy	4.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	protein solution: 30 mg/ml trypsin, 5mg/ml benzamidine and 3 mM CaCl2 in a 30 mM HEPES buffer pH 7.0. Well solution: 20% PEG 8000, 200 mM (NH4)2SO4, 100 mM cacodylate buffer pH 6.5 and 15% glycerol. 1:1 ratio drops, VAPOR DIFFUSION, HANGING DROP, temperature 293K