6CGO

Molecular basis for condensation domain-mediated chain release from the enacyloxin polyketide synthase

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	2015-09-26
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9999
Spacegroup name	P 1 21 1
Unit cell lengths	103.630, 58.770, 107.000
Unit cell angles	90.00, 104.96, 90.00

Refinement procedure

Resolution	51.687 - 2.000
R-factor	0.1811
Rwork	0.180
R-free	0.21500
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.176
Data reduction software	iMOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	64.100	2.110
High resolution limit [Å]	2.000	2.000
Rmerge	0.107	0.332
Rmeas	0.126	0.388
Rpim	0.066	0.199
Number of reflections	84342	12286
<I/σ(I)>	6.8	2.9
Completeness [%]	99.9	100
Redundancy	3.6	3.7
CC(1/2)	0.986	0.878

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.17-0.21 diammonium phosphate and 22-25% PEG 3,350