8TNE

Crystal structure of bacterial pectin methylesterase Pme8A from rumen Butyrivibrio

This is a non-PDB format compatible entry.

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	2023-03-07
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.95374
Spacegroup name	C 1 2 1
Unit cell lengths	228.797, 49.272, 100.588
Unit cell angles	90.00, 101.03, 90.00

Refinement procedure

Resolution	48.170 - 2.300
R-factor	0.20245
Rwork	0.200
R-free	0.24950
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.392
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0411)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.760	2.370
High resolution limit [Å]	2.300	2.300
Rmerge	0.105	1.283
Rmeas	0.114	1.401
Rpim	0.044	0.552
Total number of observations	327785	19428
Number of reflections	48330	3213
<I/σ(I)>	8.8	1.2
Completeness [%]	97.3
Redundancy	6.8	6
CC(1/2)	0.997	0.693

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	0.1 M Sodium HEPES 7.5, 20 % w/v PEG 10,000