7XRI

Feruloyl esterase mutant -S106A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	193
Detector technology	PIXEL
Collection date	2020-11-19
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.9794
Spacegroup name	C 1 2 1
Unit cell lengths	130.376, 153.391, 91.252
Unit cell angles	90.00, 127.40, 90.00

Refinement procedure

Resolution	45.850 - 2.190
R-factor	0.1872
Rwork	0.186
R-free	0.21370
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3pf8
RMSD bond length	0.019
RMSD bond angle	2.045
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.230
High resolution limit [Å]	2.190	2.190
Number of reflections	71881	3569
<I/σ(I)>	29.54
Completeness [%]	98.9
Redundancy	7.2
CC(1/2)	0.994	0.949

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		296	0.02 M magnesium chloride, 0.1 M HEPES:NaOH pH 7.5 and 22 % (w/v) polyacrylic acid 5100