5UY5

YfeA from M9 minimal media supplemented with iron - Mn wavelength

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	CCD
Collection date	2017-01-10
Detector	RAYONIX MX-300
Wavelength(s)	1.89174
Spacegroup name	P 21 21 21
Unit cell lengths	61.968, 66.489, 67.208
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.582 - 2.144
R-factor	0.1675
Rwork	0.163
R-free	0.20400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5uy0
RMSD bond length	0.008
RMSD bond angle	0.832
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	2.190
High resolution limit [Å]	2.144	2.144
Rmerge	0.065	0.240
Rpim	0.025	0.099
Number of reflections	15410	654
<I/σ(I)>	67.4	14
Completeness [%]	97.5	85.4
Redundancy	7.8	6.5
CC(1/2)	0.997	0.954

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