4I8J

Bovine trypsin at 0.87 A 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	54.252, 58.445, 66.181
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 0.870
Rwork	0.105
R-free	0.12000
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.018
RMSD bond angle	2.200
Data reduction software	HKL-2000
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	0.067
Number of reflections	171230
<I/σ(I)>	35.3
Completeness [%]	99.7
Redundancy	4.8

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