7P2F

Green-type copper-nitrite reductase from Sinorhizobium meliloti 2011

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	93
Detector technology	PIXEL
Collection date	2017-01-23
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.928190
Spacegroup name	C 2 2 21
Unit cell lengths	124.430, 215.390, 114.480
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	78.580 - 2.500
R-factor	0.1839
Rwork	0.182
R-free	0.22430
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1aq8
RMSD bond length	0.006
RMSD bond angle	1.485
Data reduction software	XDS
Data scaling software	Aimless (0.5.1)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	78.580	2.580
High resolution limit [Å]	2.500	2.500
Rmerge	0.127	0.860
Rmeas	0.139	0.963
Rpim	0.057	0.424
Number of reflections	52802	4453
<I/σ(I)>	9.4
Completeness [%]	98.9	97.3
Redundancy	5.7	4.7
CC(1/2)	0.985	0.675

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289	0.2 M MgCl2, 20% w/v PEG 3350