7YVY

Crystal structure of thiolase PFC_04095 from Pyrococcus furiosus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-12-03
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0723
Spacegroup name	C 1 2 1
Unit cell lengths	133.246, 113.482, 107.533
Unit cell angles	90.00, 123.03, 90.00

Refinement procedure

Resolution	48.030 - 2.700
R-factor	0.2114
Rwork	0.209
R-free	0.25240
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6esq
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.030	2.797
High resolution limit [Å]	2.700	2.700
Number of reflections	36797	3666
<I/σ(I)>	16.93
Completeness [%]	99.2
Redundancy	6.7
CC(1/2)	0.998	0.923

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	298	0.1 M carboxylic acids, 0.1 M buffer system 3 pH 8.5 and 50 % v/v precipitant mix 4. Carboxylic acids: 0.2 M each of sodium formate, ammonium acetate, sodium citrate tribasic dihydrate, sodium potassium tartrate tetrahydrate and sodium oxamate. Buffer system 3: Tris (base); bicine pH 8.5 Precipitant mix 4: MPD_PIK_P3350 (25 % v/v MPD, 25 % PEG 1000, 25 % w/v PEG 3350)