6ONN

Crystal structure of 8-amino-7-oxononanoate synthase from Burkholderia phymatum

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2018-06-06
Detector	RAYONIX MX-300
Wavelength(s)	0.97872
Spacegroup name	P 21 21 21
Unit cell lengths	78.700, 92.580, 125.560
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.900 - 1.800
R-factor	0.1659
Rwork	0.164
R-free	0.19360
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5jay
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX (dev_3409)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	39.900	39.900	1.850
High resolution limit [Å]	1.800	8.050	1.800
Rmerge	0.068	0.031	0.565
Rmeas	0.075	0.035	0.624
Total number of observations	453780
Number of reflections	84896	1065	6290
<I/σ(I)>	15.99	38.47	3.06
Completeness [%]	99.2	98.2	99.8
Redundancy	5.345	4.725	5.371
CC(1/2)	0.998	0.999	0.840

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	289	SEC purified BuphA.00096.a.B1.PW38412 at 8.864mg/ml (in 25 mM HEPES pH 7.0, 500 mM NaCl, 5% Glycerol , 2 mM DTT, 0.025% Azide ) was crystallized by sitting drop vapor diffusion at 14C with an equal volume of protein:mother liquor (Morpheus E3: 0.03M Diethylene glycol, 0.03M Triethylene glycol, 0.03M Tetraethylene glycol, 0.03M Pentaethylene glycol, 0.1M Imidazole/MES buffer pH 6.5, 20% Glycerol, 10% PEG4000), then flash-frozen for data collection. Crystal ID 299435e3 data set aas7-2