1OJA

HUMAN MONOAMINE OXIDASE B IN COMPLEX WITH ISATIN

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	130.340, 221.964, 85.966
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	15.000 - 1.700
R-factor	0.18209
Rwork	0.181
R-free	0.20400 *
Structure solution method	OTHER
RMSD bond length	0.012 *
RMSD bond angle	1.400 *
Data reduction software	MOSFLM
Data scaling software	SCALA
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	1.790
High resolution limit [Å]	1.700	1.700
Rmerge	0.083	0.339
Number of reflections	128815
<I/σ(I)>	6.4	2.1
Completeness [%]	94.4	76.7
Redundancy	4.3	3.2

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	reservoir	protein	2 (mg/ml)
5	1	reservoir	Zwittergent3-12	8.5 (mM)
6	1	reservoir	potassium phosphate	25 (mM)	pH7.5