7Q0X

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-11-15
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.04
Spacegroup name	P 31 2 1
Unit cell lengths	54.522, 54.522, 108.199
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	41.220 - 1.090
R-factor	0.11262
Rwork	0.111
R-free	0.13620
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1c1p
RMSD bond length	0.015
RMSD bond angle	1.813
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.220	1.110
High resolution limit [Å]	1.090	1.090
Number of reflections	78462	3802
<I/σ(I)>	8.2	2.2
Completeness [%]	100.0
Redundancy	5.4
CC(1/2)	0.995	0.761

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	30% PEG4K; 0.2 M ammonium sulfate