5UYC

YfeA from M9 minimal media supplemented with manganese - 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	41.682, 52.174, 112.716
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.286 - 1.959
R-factor	0.1718
Rwork	0.168
R-free	0.20290
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5uya
RMSD bond length	0.007
RMSD bond angle	0.799
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	1.990
High resolution limit [Å]	1.959	1.959
Rmerge	0.094	0.379
Rpim	0.036	0.208
Number of reflections	18167	784
<I/σ(I)>	73.2	13.3
Completeness [%]	98.9	88.3
Redundancy	7.3	4.3
CC(1/2)	0.996	0.747

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, 0.005% sodium azide