5UYF

YfeA from M9 minimal media supplemented with zinc - 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)	1.89289
Spacegroup name	P 21 21 21
Unit cell lengths	41.859, 52.191, 112.762
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.300 - 2.057
R-factor	0.1662
Rwork	0.162
R-free	0.20040
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5uyd
RMSD bond length	0.006
RMSD bond angle	0.766
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	2.100
High resolution limit [Å]	2.057	2.057
Rmerge	0.093	0.411
Rpim	0.037	0.171
Number of reflections	15986	800
<I/σ(I)>	67.3	13.5
Completeness [%]	99.9	99.9
Redundancy	7.2	6.9
CC(1/2)	0.995	0.883

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.3	295.15	30% PEG 4000, 20mM Bis-tris propane, 50mM sodium chloride, 0.05% w/v sodium azide