3R4T

Crystal structure of 4-aminobutyrate aminotransferase GabT from Mycobacterium marinum covalently bound to pyridoxal phosphate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	100
Detector technology	CCD
Collection date	2011-03-04
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97946
Spacegroup name	P 62 2 2
Unit cell lengths	123.620, 123.620, 157.590
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	50.000 - 2.500
R-factor	0.1533
Rwork	0.151
R-free	0.19100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3oks
RMSD bond length	0.014
RMSD bond angle	1.453
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (2.1.4)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.570
High resolution limit [Å]	2.500	11.180	2.500
Rmerge	0.118	0.027	0.559
Number of reflections	25245	349	1835
<I/σ(I)>	15.33	38.41	3.74
Completeness [%]	100.0	97.8	100
Redundancy	8.9		9.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	289	MymaA.01026.b.A1 PW29968 at 27.8 mg/mL against JCSG+ screen condition D5, 70% MPD, 0.1 M Hepes pH 7.5, crystal tracking ID 220563d5, VAPOR DIFFUSION, SITTING DROP, temperature 289K