6FID

Bovine trypsin solved by S-SAD on ID30B

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-06-15
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	2.066
Spacegroup name	P 21 21 21
Unit cell lengths	59.947, 64.107, 69.694
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.180 - 2.200
R-factor	0.17637
Rwork	0.174
R-free	0.21952
Structure solution method	SAD
RMSD bond length	0.008
RMSD bond angle	1.307
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	CRANK2
Refinement software	REFMAC (5.8.0189)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.270
High resolution limit [Å]	2.200	2.200
Rmerge	0.115	0.264
Rmeas	0.118	0.275
Rpim	0.024	0.074
Number of reflections	13845	1057
<I/σ(I)>	24.9	10.4
Completeness [%]	97.2	85.8
Redundancy	11.8	6.5
CC(1/2)	0.997	0.980

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293	25% PEG 8000, 0.2 M ammonium sulfate and 100mM Tris-HCl