2J57

X-ray reduced Paraccocus denitrificans methylamine dehydrogenase N- quinol 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 21 21 21
Unit cell lengths	122.131, 123.439, 246.920
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.390 - 2.250
R-factor	0.183
Rwork	0.179
R-free	0.24100
Structure solution method	OTHER
RMSD bond length	0.022
RMSD bond angle	1.981
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]	49.400	2.330
High resolution limit [Å]	2.250	2.250
Rmerge	0.200	0.470
Number of reflections	162354
<I/σ(I)>	4.4	2.2
Completeness [%]	97.1	95.7
Redundancy	3.6	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		5.6		pH 5.60