7Z2X

Wild-type ferulic acid esterase from Lactobacillus buchneri

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-02-15
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.96852
Spacegroup name	P 1
Unit cell lengths	47.830, 62.230, 94.850
Unit cell angles	103.05, 101.52, 92.80

Refinement procedure

Resolution	30.934 - 1.500
R-factor	0.1826
Rwork	0.182
R-free	0.21090
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	L. buchneri FAE
RMSD bond length	0.005
RMSD bond angle	0.808
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]	30.934	1.600
High resolution limit [Å]	1.500	1.500
Number of reflections	155659	26396
<I/σ(I)>	6.7	2.3
Completeness [%]	93.5	90
Redundancy	2.8
CC(1/2)	0.988	0.528

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	0.1 M Bis-Tris pH 5.5, 0.2 M NaCl, 25% P3350