5VNX

Crystal structure of an 8-amino-7-oxononanoate synthase from Burkholderia multivorans with a potential glycine-PLP-Lys242 cyclized intermediate or byproduct

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	2016-06-22
Detector	RAYONIX MX-300
Wavelength(s)	0.97872
Spacegroup name	C 2 2 2
Unit cell lengths	177.530, 262.090, 65.340
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.383 - 1.650
R-factor	0.1459
Rwork	0.146
R-free	0.16730
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5jay
RMSD bond length	0.011
RMSD bond angle	1.365
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (dev_2733)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	44.383	44.383	1.690
High resolution limit [Å]	1.650	7.380	1.650
Rmerge	0.066	0.041	0.556
Rmeas	0.071	0.045	0.598
Total number of observations	1368551
Number of reflections	182627	2229	13416
<I/σ(I)>	18.8	41.92	3.62
Completeness [%]	100.0	98.8	100
Redundancy	7.494	6.704	7.472
CC(1/2)	0.999	0.997	0.897

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	290	BumuA.00096.a.B1.PW37876 at 21.8mg/ml, mixed 1:1 with MCSG1 F10:, 0.1M Tris HCl pH 8.5, 2M Ammonium Sulfate, cryo protected with 25% EG