6GSQ

Oxidised copper nitrite reductase from Achromobacter cycloclastes determined by serial femtosecond rotation crystallography

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	FREE ELECTRON LASER
Source details	SACLA BEAMLINE BL2
Synchrotron site	SACLA
Beamline	BL2
Temperature [K]	100
Detector technology	CCD
Collection date	2017-10-05
Detector	RAYONIX MX225-HS
Wavelength(s)	1.242
Spacegroup name	P 21 3
Unit cell lengths	94.950, 94.950, 94.950
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	54.880 - 1.500
R-factor	0.14595
Rwork	0.144
R-free	0.17695
Starting model (for MR)	5akr
RMSD bond length	0.013
RMSD bond angle	1.612
Data reduction software	CrystFEL (0.6.3)
Refinement software	REFMAC (5.8.0230)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	54.880	1.540
High resolution limit [Å]	1.500	1.500
Number of reflections	45883	2276
<I/σ(I)>	6.3	2
Completeness [%]	100.0	100
Redundancy	220.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	293.15	1.2 M ammonium sulphate, 100 mM citrate buffer, pH 5.0