7Z2U

Wild-type ferulic acid esterase from Lactobacillus buchneri in complex with ferulate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.2
Synchrotron site	BESSY
Beamline	14.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-11-26
Detector	DECTRIS PILATUS3 S 2M
Wavelength(s)	0.91840
Spacegroup name	P 43 21 2
Unit cell lengths	79.500, 79.500, 228.240
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.356 - 1.900
R-factor	0.1798
Rwork	0.178
R-free	0.21550
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	L. buchneri FAE
RMSD bond length	0.007
RMSD bond angle	0.803
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX ((1.15.2_3472: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.360	2.000
High resolution limit [Å]	1.900	1.900
Number of reflections	58652	5738
<I/σ(I)>	13.4	1.5
Completeness [%]	99.9
Redundancy	25.1
CC(1/2)	0.998	0.613

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	295	0.1M Na cacodylate pH 6.5, 0.2M Ca acetate, 18% PEG8000