8W01

Crystal structure of DUF1735 domain-containing protein (GH18-like) from Bacteroides faecium at 2.7 A resolution (Space group C2)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-BM
Synchrotron site	APS
Beamline	22-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2022-09-21
Detector	RAYONIX MX225-HS
Wavelength(s)	1.0
Spacegroup name	C 1 2 1
Unit cell lengths	138.388, 57.600, 74.430
Unit cell angles	90.00, 92.63, 90.00

Refinement procedure

Resolution	37.180 - 2.670
R-factor	0.1827
Rwork	0.180
R-free	0.22990
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.643
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.720
High resolution limit [Å]	2.670	2.670
Rmerge	0.184	0.568
Rmeas	0.198	0.627
Rpim	0.073	0.261
Number of reflections	16875	1591
<I/σ(I)>	14.635	2.121
Completeness [%]	99.9	98.9
Redundancy	7.3	5.5
CC(1/2)	0.958	0.770

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		297	0.2 M Sodium bromide, 0.1 M Bis Tris propane pH 7.5, 20% (w/v) PEG 3350 (PACT 2-26(G2))