7ME3

YfeA oligomer crystal 3, form 2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2016-08-24
Detector	RAYONIX MX300-HS
Wavelength(s)	1.283
Spacegroup name	P 21 21 21
Unit cell lengths	67.090, 75.850, 106.550
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.450 - 2.250
R-factor	0.1689
Rwork	0.166
R-free	0.21780
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5uxs
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.500	2.330
High resolution limit [Å]	2.250	2.250
Number of reflections	52503	5090
<I/σ(I)>	7.3	4.32
Completeness [%]	99.5
Redundancy	2
CC(1/2)	0.968	0.654

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293.15	32% PEG 4000, 20 mM Bis-Tris propane, pH 6.3, 50 mM sodium chloride, 0.05%(w/v) sodium azide, 10 mM manganese chloride