5UYE

YfeA from M9 minimal media supplemented with zinc - 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	41.812, 52.171, 112.765
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.204 - 2.088
R-factor	0.1662
Rwork	0.162
R-free	0.20680
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5uyd
RMSD bond length	0.007
RMSD bond angle	0.804
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	2.130
High resolution limit [Å]	2.088	2.088
Rmerge	0.094	0.418
Rpim	0.037	0.164
Number of reflections	15274	713
<I/σ(I)>	51.3	6
Completeness [%]	99.9	99.9
Redundancy	7.3	7.4
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, 0.05% w/v sodium azide