7PJJ

Structure of the Family-3 Glycosyl Hydrolase BcpE2 from Streptomyces scabies

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 2
Synchrotron site	SOLEIL
Beamline	PROXIMA 2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-04-15
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.98010
Spacegroup name	P 31 2 1
Unit cell lengths	109.620, 109.620, 164.180
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.410 - 3.086
R-factor	0.2252
Rwork	0.223
R-free	0.27020
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4i3g
RMSD bond length	0.009
RMSD bond angle	1.000
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	BUSTER (2.10.4)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.500	3.270
High resolution limit [Å]	3.086	3.086
Rmerge	0.273	2.220
Number of reflections	21414	3286
<I/σ(I)>	6.9	0.9
Completeness [%]	99.3	96.6
Redundancy	6.7	6.4
CC(1/2)	0.991	0.301

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	methylpentane-2,4-dio (MDP) 45%, 0.1M TrisHCl pH 8.5, 0.2M ammonium acetate