6V0A

Crystal structure of cytochrome c nitrite reductase from the bacterium Geobacter lovleyi with bound sulfate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	80
Detector technology	PIXEL
Collection date	2019-04-21
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	1.7220
Spacegroup name	P 21 21 21
Unit cell lengths	110.859, 144.616, 234.887
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.664 - 2.550
R-factor	0.191
Rwork	0.188
R-free	0.24200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	FE anomalous signal at 1.7 A build model
Data reduction software	DENZO (HKL2000)
Data scaling software	SCALEPACK (HKL200)
Phasing software	MrBUMP (CCP4)
Refinement software	PHENIX (1.15.1_3469)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	10.000	2.590
High resolution limit [Å]	2.549	6.900	2.550
Rmerge	0.200	0.067	1.655
Rmeas	0.262	0.072	1.800
Rpim	0.109	0.027	0.767
Number of reflections	122318	6545	6092
<I/σ(I)>	4.8
Completeness [%]	99.0	100	99.6
Redundancy	5.5	6.9	5.3
CC(1/2)		0.997	0.350

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	281.15	20% (w/v) PEG 3350 and 200 mM Sodium Malonate as precipitant and protein concentration 10 mg/ml in 150 mM NaCl, 30 mM Ammonium Sulphate and 10 mM Hepes buffer pH 7.0