6H0D

Metal soaked Flv1 flavodiiron core from Synechocystis sp. PCC6803

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-3
Synchrotron site	ESRF
Beamline	MASSIF-3
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-10-31
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9762
Spacegroup name	C 1 2 1
Unit cell lengths	76.833, 86.917, 72.085
Unit cell angles	90.00, 102.07, 90.00

Refinement procedure

Resolution	56.841 - 1.598
R-factor	0.1585
Rwork	0.159
R-free	0.15850
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.296
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	56.841	2.000
High resolution limit [Å]	1.598	1.598
Rmeas	0.055
Rpim	0.032
Number of reflections	58008
<I/σ(I)>	13.4
Completeness [%]	94.7
Redundancy	2.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	293.15	1 UL OF PROTEIN AT 15 MG/ML WITH 1 UL OF 0.2 M AMMONIUM ACETATE, 0.1 M TRI-SODIUM CITRATE PH 5.6, 23-25% (V/V) PEG 4000