7WWH

Crystal structure of the Geobacillus thermoglucosidasius feruloyl esterase GthFAE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17B1
Synchrotron site	SSRF
Beamline	BL17B1
Temperature [K]	100
Detector technology	CCD
Collection date	2021-05-24
Detector	RAYONIX MX-300
Wavelength(s)	0.979
Spacegroup name	P 1 21 1
Unit cell lengths	46.038, 87.410, 69.456
Unit cell angles	90.00, 95.97, 90.00

Refinement procedure

Resolution	26.290 - 1.920
R-factor	0.1758
Rwork	0.174
R-free	0.20340
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3pf8
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.940
High resolution limit [Å]	1.910	5.180	1.910
Rmerge	0.073	0.038	0.505
Rmeas	0.079	0.041	0.552
Rpim	0.030	0.015	0.220
Total number of observations	277606
Number of reflections	41148	2134	1938
<I/σ(I)>	5.6
Completeness [%]	98.7	99.5	94.6
Redundancy	6.7	6.6	6.2
CC(1/2)		0.999	0.905

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	289	0.1M Tris-HCl pH 7.0, 20% PEG 1000