1OJC

HUMAN MONOAMINE OXIDASE B IN COMPLEX WITH N-(2-aminoethyl)-p-chlorobenzamide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-4
Synchrotron site	ESRF
Beamline	ID14-4
Temperature [K]	100
Detector technology	CCD
Detector	ADSC CCD
Spacegroup name	C 2 2 2
Unit cell lengths	131.690, 223.080, 86.470
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	15.000 - 2.400
R-factor	0.194
Rwork	0.193
R-free	0.25000 *
Structure solution method	OTHER
RMSD bond length	0.008
RMSD bond angle	1.100 *
Data reduction software	MOSFLM
Data scaling software	SCALA
Refinement software	REFMAC (5.1.27)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.480
High resolution limit [Å]	2.400	2.400
Rmerge	0.096	0.303
Number of reflections	47190
<I/σ(I)>	6.2	2
Completeness [%]	94.5	85.3
Redundancy	3.0 *	2.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, sitting drop *	7.5 *	4 *	pH 6.50

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG4000	12 (%(w/v))
2	1	reservoir	lithium sulfate	70 (mM)
3	1	reservoir	ADA	100 (mM)	pH6.5
4	1	drop	protein	2 (mg/ml)
5	1	drop	Zwittergent3-12	8.5 (mM)
6	1	drop	potassium phosphate	25 (mM)	pH7.5