7K4O

Tannin acyl hydrolase from Aspergillus niger

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-03-21
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9792
Spacegroup name	P 65 2 2
Unit cell lengths	170.920, 170.920, 111.061
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.760 - 1.650
Rwork	0.152
R-free	0.17380
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3wmt
RMSD bond length	0.014
RMSD bond angle	1.880
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.760	1.710
High resolution limit [Å]	1.650	1.650
Rmerge	0.079	1.396
Rpim	0.023	0.384
Number of reflections	114035	11292
<I/σ(I)>	20.9	1.8
Completeness [%]	99.9
Redundancy	13.4
CC(1/2)	0.999	0.689

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	281	zinc sulfate, polyethylene glycol monomethyl ether 500 and 0.1 M sodium MES at pH 6.5