5UYA

YfeA from M9 minimal media supplemented with manganese - 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	41.793, 52.127, 113.006
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.313 - 1.719
R-factor	0.1665
Rwork	0.165
R-free	0.19220
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5uxs
RMSD bond length	0.006
RMSD bond angle	0.775
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	1.750
High resolution limit [Å]	1.719	1.719
Rmerge	0.096	0.404
Rpim	0.037	0.154
Number of reflections	26994	1320
<I/σ(I)>	59.1	7.9
Completeness [%]	99.8	98.7
Redundancy	7.4	7.3
CC(1/2)	0.995	0.965

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% w/v sodium azide