2J56

X-ray reduced Paraccocus denitrificans methylamine dehydrogenase N- semiquinone in complex with amicyanin.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 14-BM-C
Synchrotron site	APS
Beamline	14-BM-C
Temperature [K]	100
Detector technology	CCD
Detector	ADSC CCD
Spacegroup name	P 41 21 2
Unit cell lengths	123.029, 123.029, 245.303
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.480 - 2.100
R-factor	0.171
Rwork	0.169
R-free	0.20700
Structure solution method	OTHER
RMSD bond length	0.017
RMSD bond angle	1.637
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.500	2.180
High resolution limit [Å]	2.100	2.100
Rmerge	0.130	0.500
Number of reflections	101798
<I/σ(I)>	22	7.8
Completeness [%]	97.4	100
Redundancy	9.7	9.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		9		pH 9.00