7Y51

Acetylxylan esterase from Caldanaerobacter subterraneus subsp. tengcongensis TTE0866 delta100 mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL45XU
Synchrotron site	SPring-8
Beamline	BL45XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-10-16
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.0
Spacegroup name	I 21 21 21
Unit cell lengths	63.090, 106.400, 117.780
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.910 - 2.450
Rwork	0.191
R-free	0.23010
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7fbw
RMSD bond length	0.012
RMSD bond angle	1.868
Data reduction software	XDS
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.910	2.550
High resolution limit [Å]	2.450	2.450
Rmerge	0.170	0.912
Number of reflections	14957	1651
<I/σ(I)>	14.3
Completeness [%]	99.9
Redundancy	11
CC(1/2)	0.993	0.840

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION, RECRYSTALLIZATION	8	293	20 mM Tris-HCl (pH8.0) 100 mM NaCl