6XYG

Femtosecond structure of bovine trypsin at room temperature

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID13
Synchrotron site	ESRF
Beamline	ID13
Temperature [K]	295
Detector technology	PIXEL
Collection date	2019-06-20
Detector	DECTRIS PILATUS3 X 1M
Wavelength(s)	1.112
Spacegroup name	P 21 21 21
Unit cell lengths	54.840, 58.700, 67.470
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.556 - 1.500
R-factor	0.166374759835
Rwork	0.165
R-free	0.19390
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4i8h
RMSD bond length	0.009
RMSD bond angle	0.831
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	REFMAC (1.11.1_2575)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.560	1.540
High resolution limit [Å]	1.500	1.500
Number of reflections	28730	1079
<I/σ(I)>	8
Completeness [%]	80.8
Redundancy	2.52
CC(1/2)	0.993	0.603

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	18% PEG8000, 50 mM HEPES pH 7.0, 0.2 M Ammonium sulfate, 3 mM CaCl2and 6 mg/ml benzamidine