5K0A

Structure of an oxidoreductase from Synechocystis sp. PCC6803

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-12-10
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.99987
Spacegroup name	P 1 21 1
Unit cell lengths	66.029, 128.430, 92.728
Unit cell angles	90.00, 91.61, 90.00

Refinement procedure

Resolution	49.042 - 1.706
R-factor	0.1664
Rwork	0.165
R-free	0.19260
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5jri
RMSD bond length	0.007
RMSD bond angle	1.413
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((dev_2341: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.043	1.767
High resolution limit [Å]	1.706	1.706
Rmerge	0.100	1.298
Number of reflections	167283
<I/σ(I)>	10.66	1.08
Completeness [%]	100.0	100
Redundancy	6.6	6.7
CC(1/2)	0.998

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	0.03 M NaNO3 0.03 M PO4H2Na 0.03 M (NH4)2SO4 0.1 M Imidazole/Mes, pH 6.5 20% (v/v) PEG-500 MME 10% (w/v) PEG-20000