4CRT

Crystal structure of human monoamine oxidase B in complex with the multi-target inhibitor ASS234

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Detector	DECTRIS PILATUS 6M
Spacegroup name	C 2 2 2
Unit cell lengths	132.060, 223.250, 86.350
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.300 - 1.800
R-factor	0.18734
Rwork	0.186
R-free	0.22083
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	NONE
RMSD bond length	0.011
RMSD bond angle	1.448
Data reduction software	MOSFLM
Data scaling software	SCALA
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall
Low resolution limit [Å]	40.000
High resolution limit [Å]	1.800
Rmerge	0.100
Number of reflections	115712
Completeness [%]	98.3
Redundancy	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		6.5		pH 6.5