8GQJ

Structure of Thiolase from Pseudomonas aeruginosa PAO1

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 7A (6B, 6C1)
Synchrotron site	PAL/PLS
Beamline	7A (6B, 6C1)
Temperature [K]	100
Detector technology	CCD
Collection date	2019-06-18
Detector	ADSC QUANTUM 270
Wavelength(s)	0.9793
Spacegroup name	P 63 2 2
Unit cell lengths	173.201, 173.201, 139.692
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	32.750 - 1.780
R-factor	0.1571
Rwork	0.156
R-free	0.17780
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4o99
RMSD bond length	0.013
RMSD bond angle	1.738
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.830
High resolution limit [Å]	1.780	4.880	1.800
Rmerge	0.161	0.144	0.297
Rmeas	0.166	0.148	0.316
Rpim	0.039	0.034	0.101
Number of reflections	113500	6143	5508
<I/σ(I)>	9.1
Completeness [%]	98.1	98.5	96.3
Redundancy	13	17.5	7
CC(1/2)		0.992	0.793

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	12% (w/v) PEG 3350 4% (v/v) Tacsimate, pH 8.0