5UYH

YfeA with metal bound to site 2 - Mn wavelength

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2016-11-26
Detector	RAYONIX MX300-HS
Wavelength(s)	1.89288
Spacegroup name	P 21 21 21
Unit cell lengths	62.385, 66.100, 66.829
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.995 - 1.990
R-factor	0.1904
Rwork	0.186
R-free	0.23530
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5uyg
RMSD bond length	0.008
RMSD bond angle	0.894
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	2.020
High resolution limit [Å]	1.990	1.990
Rmerge	0.064	0.403
Rpim	0.032	0.222
Number of reflections	19483	940
<I/σ(I)>	53.6	0.4
Completeness [%]	99.3	96.9
Redundancy	4.6	4
CC(1/2)	0.995	0.833

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, 10mM manganese chloride