5UYB

YfeA from M9 minimal media supplemented with manganese - Fe 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)	1.74013
Spacegroup name	P 21 21 21
Unit cell lengths	41.746, 52.186, 112.744
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.149 - 1.950
R-factor	0.1688
Rwork	0.165
R-free	0.20170
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5uya
RMSD bond length	0.006
RMSD bond angle	0.764
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	1.980
High resolution limit [Å]	1.950	1.950
Rmerge	0.092	0.402
Rpim	0.035	0.158
Number of reflections	18617	921
<I/σ(I)>	52.7	5.2
Completeness [%]	99.7	99.9
Redundancy	7.6	7.5
CC(1/2)	0.995	0.941

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% w/v sodium azide