5J90

Structure of Fjoh_4558, a chitin-binding SusD homolog from Flavobacterium johnsoniae

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2015-07-30
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.979
Spacegroup name	P 21 21 21
Unit cell lengths	79.331, 112.137, 121.586
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.574 - 1.393
R-factor	0.1504
Rwork	0.150
R-free	0.16730
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4f7a
RMSD bond length	0.006
RMSD bond angle	1.084
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.410
High resolution limit [Å]	1.390	3.770	1.390
Rmerge	0.056	0.030	0.364
Number of reflections	215603
<I/σ(I)>	12.4
Completeness [%]	99.2	99.8	83.6
Redundancy	7.9	8	5.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	150 mM Tris-HCl pH 8.5, 27% sokolan CP5. These crystals were briefly soaked in 10mM acetylchitopentaose prior to freezing with a solution of 20% ethylene glycol, 80% crystallization media