6KOG

Ketosynthase domain in tenuazonic acid synthetase 1 (TAS1).

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL41XU
Synchrotron site	SPring-8
Beamline	BL41XU
Temperature [K]	103
Detector technology	PIXEL
Collection date	2017-10-18
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	79.633, 99.136, 127.233
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.568 - 1.680
R-factor	0.166
Rwork	0.165
R-free	0.19240
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4mz0
RMSD bond length	0.015
RMSD bond angle	1.323
Data reduction software	XDS
Data scaling software	Aimless (1.11.4)
Phasing software	PHASER (2.7.17)
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.568	1.670
High resolution limit [Å]	1.575	1.580
Number of reflections	129538	87079
<I/σ(I)>	8.61
Completeness [%]	80.6	35
Redundancy	6.8
CC(1/2)	0.998	0.663

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	120 mM NaCl, 1.65 M Ammonium sulfate, 0.1 M MES-NaOH pH 6.5, 5% Methanol