2V61

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-1
Synchrotron site	ESRF
Beamline	ID14-1
Temperature [K]	100
Spacegroup name	C 2 2 2
Unit cell lengths	131.998, 222.539, 86.202
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	113.230 - 1.700
R-factor	0.173
Rwork	0.172
R-free	0.20100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1oja
RMSD bond length	0.011
RMSD bond angle	1.289
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]	1.700
Rmerge	0.070
Number of reflections	138335
Completeness [%]	99.6
Redundancy	3.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1