5UY0

YfeA from M9 minimal media supplemented with iron - Zn 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)	1.28215
Spacegroup name	P 21 21 21
Unit cell lengths	61.929, 66.472, 67.249
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.965 - 1.709
R-factor	0.1808
Rwork	0.178
R-free	0.21240
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5uxs
RMSD bond length	0.007
RMSD bond angle	0.808
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	1.740
High resolution limit [Å]	1.709	1.709
Rmerge	0.085	0.404
Rpim	0.032	0.150
Number of reflections	30412	1478
<I/σ(I)>	56	1.4
Completeness [%]	98.9	97.7
Redundancy	8.1	8.1
CC(1/2)	0.997	0.938

Crystallization Conditions

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