7ME1

YfeA oligomer crystal 1, form 1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08B1-1
Synchrotron site	CLSI
Beamline	08B1-1
Temperature [K]	100
Detector technology	CCD
Collection date	2017-05-27
Detector	RAYONIX MX300HE
Wavelength(s)	1.283
Spacegroup name	P 21 21 21
Unit cell lengths	67.520, 76.910, 110.290
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.100 - 2.050
R-factor	0.1676
Rwork	0.166
R-free	0.19510
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]	46.100	2.123
High resolution limit [Å]	2.050	2.050
Number of reflections	68969	4633
<I/σ(I)>	11.2	7.13
Completeness [%]	94.5
Redundancy	2
CC(1/2)	0.991	0.904

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