9BOM

Crystal structure of reduced bovine trypsin, 25mM DTT-treated

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-12-17
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0
Spacegroup name	P 31 2 1
Unit cell lengths	54.424, 54.424, 106.993
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	28.440 - 1.350
R-factor	0.1767
Rwork	0.176
R-free	0.18740
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.773
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	PHENIX ((1.21_5207: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.370
High resolution limit [Å]	1.350	1.350
Rmerge	0.046	0.826
Number of reflections	40795	1954
<I/σ(I)>	40.07
Completeness [%]	98.9
Redundancy	7.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	0.1M Imidazole pH 7.0, 0.3M ammonium sulfate, 30% PEG-8000