5YTL

Crystal structure of Geobacillus thermodenitrificans copper-containing nitrite reductase determined with an anaerobically manipulated crystal

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL32XU
Synchrotron site	SPring-8
Beamline	BL32XU
Temperature [K]	100
Detector technology	CCD
Collection date	2015-10-27
Detector	RAYONIX MX-225
Wavelength(s)	0.9790
Spacegroup name	H 3
Unit cell lengths	115.314, 115.314, 84.534
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	26.321 - 1.401
R-factor	0.1145
Rwork	0.113
R-free	0.13970
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.884
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.420
High resolution limit [Å]	1.400	1.400
Rmeas	0.072	0.558
Number of reflections	81993	4135
<I/σ(I)>	21.2	1.5
Completeness [%]	99.5	100
Redundancy	2.9	2.7
CC(1/2)		0.723

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1M acetate buffer pH 4.5, 6.0 % PEG 4000, 75mM CuSO4