8FSR

Complex Structure of YejA with fMccA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2017-07-12
Detector	RAYONIX MX300-HS
Wavelength(s)	0.97872
Spacegroup name	I 2 2 2
Unit cell lengths	89.523, 103.121, 144.010
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	83.840 - 1.780
R-factor	0.18419
Rwork	0.182
R-free	0.22535
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.018
RMSD bond angle	1.854
Data scaling software	HKL-2000
Phasing software	PHENIX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.840
High resolution limit [Å]	1.780	1.780
Number of reflections	62999	62931
<I/σ(I)>	41.4
Completeness [%]	98.3
Redundancy	12.4
CC(1/2)	0.999	0.917

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		282.15	90 mM BIS-TRIS pH 6.5, 15% (w/v) PEG MME 5000, and 0.5% (w/v) n-dodecyl-beta-D-maltoside