9BWK

Crystal structure of polyketoacyl-CoA thiolase from Burkholderia sp.

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2023-02-24
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0000
Spacegroup name	P 43 21 2
Unit cell lengths	130.477, 130.477, 122.083
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.090 - 2.200
R-factor	0.1755
Rwork	0.174
R-free	0.21640
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.258
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX (1.21_5207)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.090	2.270
High resolution limit [Å]	2.200	2.200
Number of reflections	50096	4130
<I/σ(I)>	18.6
Completeness [%]	99.8
Redundancy	27.4
CC(1/2)	0.999	0.673

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1 M lithium sulfate, 0.1 M sodium chloride, 0.1 M Bis-Tris pH 6.5, 20 % PEG 3,350 and 10 % hexanediol