2V60

Structure of human MAO B in complex with the selective inhibitor 7-(3- chlorobenzyloxy)-4-carboxaldehyde-coumarin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	CCD
Detector	MARRESEARCH
Spacegroup name	C 2 2 2
Unit cell lengths	130.694, 224.413, 86.811
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	113.230 - 2.000
R-factor	0.174
Rwork	0.172
R-free	0.22100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1oja
RMSD bond length	0.017
RMSD bond angle	1.554
Data reduction software	MOSFLM
Data scaling software	SCALA
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall
Low resolution limit [Å]	30.000
High resolution limit [Å]	2.000
Rmerge	0.130
Number of reflections	85456
Completeness [%]	99.3
Redundancy	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1