5MG5

A multi-component acyltransferase PhlABC from Pseudomonas protegens soaked with the monoacetylphloroglucinol (MAPG)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-04-15
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.95
Spacegroup name	P 21 21 21
Unit cell lengths	104.793, 229.775, 311.129
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.725 - 3.440
R-factor	0.1682
Rwork	0.165
R-free	0.22060
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5m3k
RMSD bond length	0.004
RMSD bond angle	0.555
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.12_2829: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.720	3.560
High resolution limit [Å]	3.440	3.440
Rmerge	0.268	0.780
Number of reflections	99724
<I/σ(I)>	8.1	2.57
Completeness [%]	99.0	93
Redundancy	6	5.6
CC(1/2)	0.970	0.810

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289	Index screen #55 (0.05 M Magnesium chloride hexahydrate, 0.1 M HEPES pH 7.5, 0% v/v Polyethylene glycol monomethyl ether 550). 12mg/ml in potassium phosphate buffer, 50 mM, pH 7.5