5M3K

A multi-component acyltransferase PhlABC from Pseudomonas protegens

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-11-19
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.8726
Spacegroup name	P 61 2 2
Unit cell lengths	222.626, 222.626, 237.099
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.862 - 2.830
R-factor	0.1689
Rwork	0.167
R-free	0.19618
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1tvz 3zbg
RMSD bond length	0.008
RMSD bond angle	1.282
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	REFMAC (5.8.0173)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.862	2.940
High resolution limit [Å]	2.830	2.830
Rmerge	0.255	0.891
Rmeas	0.271	0.271
Number of reflections	82036
<I/σ(I)>	7.87	2.23
Completeness [%]	100.0	98
Redundancy	8.5	8.5
CC(1/2)	0.980	0.670

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289	12 mg mL-1 protein solution Index screen crystallization condition #91 (0.15 M, DL-malic acid pH 7.0, 20% w/v polyethylene glycol 3,350)