6Q1D

Holo YfeA reconstituted by zinc soaking

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-07-08
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.28232
Spacegroup name	P 21 21 21
Unit cell lengths	39.864, 50.922, 115.536
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.597 - 1.790
R-factor	0.1868
Rwork	0.184
R-free	0.21920
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5uxs
Data reduction software	HKL-2000 (v712)
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.820
High resolution limit [Å]	1.790	1.790
Number of reflections	42877	3015
<I/σ(I)>	43.1
Completeness [%]	99.9
Redundancy	6.7
CC(1/2)	0.967	0.973

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.3	293.15	20 mM Bis-Tris, pH 6.3, 50 mM sodium chloride, 0.05% w/v sodium azide, 30% w/v PEG4000