5UYG

YfeA with metal bound to site 2 - Zn wavelength

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2016-11-26
Detector	RAYONIX MX300-HS
Wavelength(s)	1.28281
Spacegroup name	P 21 21 21
Unit cell lengths	62.356, 66.036, 66.827
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.972 - 1.859
R-factor	0.1916
Rwork	0.189
R-free	0.21800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5uxs
RMSD bond length	0.008
RMSD bond angle	0.887
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	1.890
High resolution limit [Å]	1.859	1.859
Rmerge	0.071	0.335
Rpim	0.035	0.188
Number of reflections	23851	1183
<I/σ(I)>	46.6	0.4
Completeness [%]	99.8	99.9
Redundancy	4.8	4.8
CC(1/2)	0.986	0.903

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% sodium azide, 10mM manganese chloride