9BWP

Crystal structure of polyketoacyl-CoA thiolase from Burkholderia sp. in complex with acetoacetyl-coA

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	130.778, 130.778, 121.597
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.240 - 2.450
R-factor	0.1934
Rwork	0.192
R-free	0.22660
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.515
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.240	2.530
High resolution limit [Å]	2.450	2.450
Rmerge	0.120
Number of reflections	39324	3862
<I/σ(I)>	22.5
Completeness [%]	100.0
Redundancy	14.4
CC(1/2)	0.999	0.773

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.