7Q6Y

The X-ray crystal structure of CbTan2, a tannase enzyme from Clostridium butyricum

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-09-18
Detector	DECTRIS PILATUS3 X 2M
Wavelength(s)	0.8731
Spacegroup name	P 21 21 21
Unit cell lengths	90.675, 95.003, 131.586
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.450 - 2.220
R-factor	0.202
Rwork	0.200
R-free	0.25700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4j0c
RMSD bond length	0.008
RMSD bond angle	0.916
Data reduction software	autoPROC
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.450	2.300
High resolution limit [Å]	2.220	2.220
Rmerge	0.196	2.463
Number of reflections	56815	5560
<I/σ(I)>	11.93	1.1
Completeness [%]	99.9	99.7
Redundancy	13.2	13.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	298.15	0.2 M calcium chloride dihydrate 0.1 M sodium acetate, pH 5.0 20 % PEG 6,000 25 mg/mL protein