6RIW

PfaC Keto synthase-Chain length factor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALBA BEAMLINE XALOC
Synchrotron site	ALBA
Beamline	XALOC
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-12-03
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.127
Spacegroup name	P 21 21 21
Unit cell lengths	78.240, 90.830, 132.420
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	74.900 - 1.850
R-factor	0.1646
Rwork	0.163
R-free	0.18990
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4mz0
RMSD bond length	0.008
RMSD bond angle	0.893
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	PHENIX (1.18_3855)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	27.050	1.916
High resolution limit [Å]	1.850	1.850
Rmerge	0.069	0.358
Number of reflections	80533	11547
<I/σ(I)>	37.83	2.62
Completeness [%]	99.3
Redundancy	4.2
CC(1/2)	0.863	0.559

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	20% 10,000 polyethylene glycol, 0.1 M HEPES pH 7.5