4P7F

Mouse apo-COMT

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2010-05-07
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9998
Spacegroup name	H 3 2
Unit cell lengths	123.822, 123.822, 88.369
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	40.800 - 1.370
R-factor	0.1258
Rwork	0.123
R-free	0.17080
RMSD bond length	0.008
RMSD bond angle	1.212
Refinement software	PHENIX ((phenix.refine: 1.9_1692))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.800	1.420
High resolution limit [Å]	1.370	1.370
Rmerge	0.069	0.024
Number of reflections	54274
<I/σ(I)>	14.8069	0.864
Completeness [%]	99.7	99.1
Redundancy	10	9.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293