5UY4

YfeA from M9 minimal media supplemented with iron - Fe 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)	1.74013
Spacegroup name	P 21 21 21
Unit cell lengths	61.930, 66.374, 67.154
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.207 - 1.915
R-factor	0.1755
Rwork	0.173
R-free	0.20140
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5uy0
RMSD bond length	0.007
RMSD bond angle	0.805
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	1.950
High resolution limit [Å]	1.915	1.915
Rmerge	0.063	0.414
Rpim	0.024	0.155
Number of reflections	21484	1046
<I/σ(I)>	56	3.1
Completeness [%]	98.0	96.1
Redundancy	7.9	7.8
CC(1/2)	0.997	0.934

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.3	293.15	30% PEG 4000, 20mM Bis-tris, 50mM sodium chloride, 0.05% w/v sodium azide