5K73

as-isolated Dbr1 with Fe(II) and Zn(II)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-02-06
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	1.731600
Spacegroup name	P 21 21 21
Unit cell lengths	73.161, 141.705, 213.777
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	69.220 - 2.080
R-factor	0.18
Rwork	0.178
R-free	0.21270
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	4pef
RMSD bond length	0.040
RMSD bond angle	0.496
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.10_2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	70.000	2.170
High resolution limit [Å]	2.078	2.080
Rmerge	0.044	0.559
Number of reflections	223208
<I/σ(I)>	15.4	1.5
Completeness [%]	99.7	66.4
Redundancy	3.5	2.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	293	PEG 3350, lithium sulfate, glycerol, bis-tris