5UYV

YfeA ancillary sites that do not co-load with site 2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-08-13
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.27932
Spacegroup name	P 21 21 21
Unit cell lengths	41.516, 51.959, 112.751
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.959 - 1.691
R-factor	0.1755
Rwork	0.173
R-free	0.20610
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5uxs
RMSD bond length	0.007
RMSD bond angle	0.841
Data reduction software	HKL-2000 (v712)
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.720
High resolution limit [Å]	1.690	1.690
Rmerge	0.082	0.259
Rpim	0.052	0.186
Number of reflections	27201	1217
<I/σ(I)>	43.7	4.1
Completeness [%]	96.8	88.4
Redundancy	3.2	2.7
CC(1/2)	0.948	0.752

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.3	293.15	30% PEG 4000, 20mM Bis-tris propane, 50mM sodium chloride, 0.05% w/v sodium azide SOAKING: Fiber used to streak 1.5uL droplet of 10mM zinc chloride into crystallization drop. Mixture incubated 4-hrs prior to freezing.