5ZL1

Hexameric structure of copper-containing nitrite reductase of an anammox organism KSU-1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL26B1
Synchrotron site	SPring-8
Beamline	BL26B1
Temperature [K]	100
Detector technology	CCD
Collection date	2015-05-13
Detector	RAYONIX MX225HE
Wavelength(s)	1.0
Spacegroup name	H 3 2
Unit cell lengths	270.217, 270.217, 128.909
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	40.000 - 3.200
R-factor	0.241
Rwork	0.240
R-free	0.25370
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1kbw
RMSD bond length	0.008
RMSD bond angle	1.372
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	3.260
High resolution limit [Å]	3.200	8.670	3.200
Rmerge	0.124	0.040	0.569
Rmeas	0.130	0.042	0.596
Rpim	0.038	0.013	0.176
Number of reflections	29860	1565	1482
<I/σ(I)>	7.4
Completeness [%]	100.0	100	100
Redundancy	11.5	11	11.5
CC(1/2)		0.999	0.933

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	100mM Tris-HCl, 500mM lithium sulfate, 4% PEG 4000 (pH8.5)