5UC7

Crystal structure of BioA / 7,8-diaminopelargonic acid aminotransferase / DAPA synthase from Citrobacter rodentium, PLP complex

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	2016-10-14
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97856
Spacegroup name	P 21 21 2
Unit cell lengths	75.369, 88.306, 63.274
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.153 - 1.835
R-factor	0.1542
Rwork	0.152
R-free	0.19840
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1qj5
RMSD bond length	0.018
RMSD bond angle	1.410
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (dev_2481)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	51.430	1.841
High resolution limit [Å]	1.835	1.835
Rmerge	0.104	0.778
Number of reflections	36804
<I/σ(I)>	12.5	2.1
Completeness [%]	97.8	90.6
Redundancy	5.4	4.8
CC(1/2)	0.998	0.661

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	298	0.2 M ammonium tartrate pH 7, 20% (w/v) PEG3350