7Q0W

Bovine Trypsin co-crystallized with V(IV)OSO4 and phen

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-05-31
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.98
Spacegroup name	P 21 21 21
Unit cell lengths	53.905, 56.082, 65.779
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.680 - 1.200
R-factor	0.12831
Rwork	0.127
R-free	0.16185
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1c1p
RMSD bond length	0.016
RMSD bond angle	1.805
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.680	1.220
High resolution limit [Å]	1.200	1.200
Number of reflections	62976	3072
<I/σ(I)>	13.7	2
Completeness [%]	99.9
Redundancy	12.2
CC(1/2)	0.999	0.804

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	10% (m/v) PEG8000; 0.1 M imidazole pH 8.0