8W04

Crystal structure of DUF1735-domain containing protein (GH18-like) from Bacteroides faecium at 2.9 A resolution (Space group P21)

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	P 1 21 1
Unit cell lengths	74.259, 57.537, 137.148
Unit cell angles	90.00, 91.77, 90.00

Refinement procedure

Resolution	37.110 - 2.910
R-factor	0.2053
Rwork	0.201
R-free	0.25200
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.510
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	2.950
High resolution limit [Å]	2.900	2.900
Rmerge	0.192	0.773
Rmeas	0.207	0.836
Rpim	0.076	0.315
Number of reflections	25271	2050
<I/σ(I)>	13.39	2.26
Completeness [%]	97.7	79.94
Redundancy	7.2	6.8
CC(1/2)	0.972	0.814

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))