7UG3

Crystal structure of adenosylmethionie-8-amino-7-oxononanoate aminotransferase from Klebsiella pneumoniae

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	2021-11-04
Detector	RAYONIX MX300-HS
Wavelength(s)	0.9787
Spacegroup name	P 1 21 1
Unit cell lengths	85.070, 90.830, 103.860
Unit cell angles	90.00, 93.87, 90.00

Refinement procedure

Resolution	45.420 - 1.900
R-factor	0.2253
Rwork	0.225
R-free	0.25960
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1qj5
RMSD bond length	0.007
RMSD bond angle	0.791
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MoRDa
Refinement software	PHENIX (1.20.1)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.950
High resolution limit [Å]	1.900	8.500	1.900
Rmerge	0.047	0.022	0.481
Rmeas	0.054	0.025	0.572
Number of reflections	123933	1425	9069
<I/σ(I)>	17.89	48.46	2.5
Completeness [%]	99.8	97.5	98.8
Redundancy	4.129	3.856	3.443
CC(1/2)	0.999	0.999	0.789

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.1	287	KlpnC.01026.b.B1.PW39017 at 37 mg/mL with 5 mM SAH against JCSG+ screen condition C4: 0.1 M Hepes pH 7.1, 10% PEG 6000, supplemented with 25% ethylene glycol as cryo-protectant, crystal tracking ID 322320c4, unique puck ID twl7-9, APS 21 ID-F 11/04/21