9OTV

Truncated putative polyesterase from Chloracidobacterium thermophilum

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX1
Synchrotron site	Australian Synchrotron
Beamline	MX1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-04-22
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	0.95373
Spacegroup name	P 1
Unit cell lengths	37.723, 51.844, 56.431
Unit cell angles	86.74, 73.27, 89.98

Refinement procedure

Resolution	53.950 - 1.900
R-factor	0.2504
Rwork	0.249
R-free	0.27190
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.020
Data reduction software	XDS
Data scaling software	Aimless (0.7.9)
Phasing software	PHASER (2.8.3)
Refinement software	BUSTER (2.10.4)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	53.950	1.933
High resolution limit [Å]	1.900	1.900
Rpim	0.083
Number of reflections	30718	1506
<I/σ(I)>	4.6	1.2
Completeness [%]	95.3
Redundancy	3.7
CC(1/2)	0.993	0.704

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.7	293	24% (w/v) PEG 10,000 0.1 M Bis-Tris pH 5.7 0.23 M ammonium sulfate