6G4E

Crystal structure of the omega TRANSAMINASE FROM PSEUDOMONAS Jessenii in complex with PLP and 6-aminohexanoate (6-ACA)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	BRUKER AXS MICROSTAR-H
Temperature [K]	110
Detector technology	IMAGE PLATE
Collection date	2015-10-20
Detector	MARRESEARCH
Wavelength(s)	1.5418
Spacegroup name	P 43
Unit cell lengths	98.000, 98.000, 119.760
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	51.100 - 2.450
R-factor	0.16666
Rwork	0.165
R-free	0.20437
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	D_1200009303
RMSD bond length	0.010
RMSD bond angle	1.345
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	51.100	2.550
High resolution limit [Å]	2.450	2.450
Rpim	0.070	0.404
Number of reflections	41576	4646
<I/σ(I)>	7.9	1.8
Completeness [%]	100.0	100
Redundancy	4.1	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	294	1.0 M Sodium succinate pH 7.5, 0.1 mM PLP