2J55

X-ray reduced Paraccocus denitrificans methylamine dehydrogenase O- quinone 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	122.733, 122.733, 246.591
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	21.700 - 2.150
R-factor	0.192
Rwork	0.189
R-free	0.24500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PRE-REDUCTION O-QUINONE FORM
RMSD bond length	0.027
RMSD bond angle	2.157
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]	21.700	2.210
High resolution limit [Å]	2.150	2.150
Rmerge	0.110	0.430
Number of reflections	96429
<I/σ(I)>	10.3	5.2
Completeness [%]	99.0	99.9
Redundancy	7.8	7.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		5.6		pH 5.60