7EBO

Crystal structure of a feruloyl esterase LP_0796 from Lactobacillus plantarum

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	CCD
Collection date	2019-11-07
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9792
Spacegroup name	P 21 21 21
Unit cell lengths	54.891, 74.339, 110.726
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.180 - 2.500
R-factor	0.2032
Rwork	0.201
R-free	0.23920
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1tqh
RMSD bond length	0.003
RMSD bond angle	0.725
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	4.740	2.280
High resolution limit [Å]	2.200	3.760	2.200
Rmerge	0.112	0.070	0.486
Rmeas	0.118	0.074	0.520
Rpim	0.037	0.025	0.183
Total number of observations	223710
Number of reflections	21091	1936	2161
<I/σ(I)>	9
Completeness [%]	96.2	86.2	100
Redundancy	10.6	8.8	7.6
CC(1/2)		0.997	0.933

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	0.2 M ammonium sulfate, 0.1 M MES pH 6.5 and 25% polyethylene glycol 8000