5JAY

Crystal Structure of an 8-amino-7-oxononanoate Synthase from Burkholderia xenovorans

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2016-03-16
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97857
Spacegroup name	P 21 21 2
Unit cell lengths	171.870, 63.200, 65.190
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.406 - 1.750
R-factor	0.1722
Rwork	0.171
R-free	0.20390
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2g6w
RMSD bond length	0.006
RMSD bond angle	0.736
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000		1.800
High resolution limit [Å]	1.750	7.830	1.750
Rmerge	0.048	0.022	0.549
Number of reflections	72463
<I/σ(I)>	22.99	55.46	3.11
Completeness [%]	99.9	96.4	100
Redundancy	6.1
CC(1/2)	0.999

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		290	BuxeA.00096.b.B1.PS37838 at 22.85 mg/ml was mixed 1:1 with MCSG1(e9) 0.2 M calcium chloride, 20% (w/v) PEG-3350, cryoprotected with 20% ethylene glycol