4BRV

Superoxide reductase (Neelaredoxin) from Ignicoccus hospitalis E23A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	BRUKER AXS MICROSTAR
Temperature [K]	293
Detector technology	CCD
Detector	BRUKER PROTEUM PT135
Spacegroup name	P 1 21 1
Unit cell lengths	54.908, 74.796, 68.754
Unit cell angles	90.00, 106.69, 90.00

Refinement procedure

Resolution	29.601 - 2.050
R-factor	0.1608
Rwork	0.159
R-free	0.19970
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4bk8
RMSD bond length	0.007
RMSD bond angle	1.132
Data reduction software	SAINT
Data scaling software	SADABS
Phasing software	PHASER
Refinement software	PHENIX ((PHENIX.REFINE: 1.8.1_1168))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.700	2.150
High resolution limit [Å]	2.050	2.050
Rmerge	0.060	0.330
Number of reflections	33545
<I/σ(I)>	11.8	2.4
Completeness [%]	99.8	99.4
Redundancy	3.7	2.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		8.5		100MM TRISHCL PH 8.5, 10MM NICL2, 20% (W/V) PEG 2000 MONOMETHYLETHER AND 15% (W/V) GLYCEROL.