7FBW

Acetylxylan esterase from Caldanaerobacter subterraneus subsp. tengcongensis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL44XU
Synchrotron site	SPring-8
Beamline	BL44XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-07-14
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9
Spacegroup name	I 21 21 21
Unit cell lengths	62.211, 105.992, 118.077
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.710 - 1.900
Rwork	0.186
R-free	0.21010
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2cc0
RMSD bond length	0.014
RMSD bond angle	1.822
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.710	1.940
High resolution limit [Å]	1.900	1.900
Rmerge	0.070	0.484
Number of reflections	30651	1986
<I/σ(I)>	9.1	1.9
Completeness [%]	98.7
Redundancy	3.5
CC(1/2)	0.994	0.769

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1 M CHES-NaOH pH 9.5, 10% PEG3350, 0.022 M strontium chloride