5WVP

Expression, characterization and crystal structure of a novel beta-glucosidase from Paenibacillus barengoltzii

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	CMOS
Collection date	2016-06-20
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.97853
Spacegroup name	P 21 21 21
Unit cell lengths	66.695, 75.215, 160.816
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.902 - 2.294
R-factor	0.1729
Rwork	0.170
R-free	0.23200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5wug
RMSD bond length	0.009
RMSD bond angle	0.975
Data reduction software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((dev_2474: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.330
High resolution limit [Å]	2.294	2.294
Rmerge	0.101	0.484
Number of reflections	35790
<I/σ(I)>	25.917	4
Completeness [%]	97.0
Redundancy	12.5	10.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	25% PEG 3350, 0.1M Bis-Tris pH 6.5, 0.2M Ammonium acetate