3Q8N

Crystal structure of 4-aminobutyrate transaminase from Mycobacterium smegmatis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.3
Synchrotron site	ALS
Beamline	5.0.3
Temperature [K]	100
Detector technology	CCD
Collection date	2010-10-18
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9765
Spacegroup name	P 1 21 1
Unit cell lengths	86.220, 98.410, 109.610
Unit cell angles	90.00, 111.49, 90.00

Refinement procedure

Resolution	19.760 - 2.050
R-factor	0.195
Rwork	0.193
R-free	0.23700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3oks
RMSD bond length	0.015
RMSD bond angle	1.476
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	19.760		2.100
High resolution limit [Å]	2.050	9.170	2.050
Rmerge	0.082	0.027	0.349
Number of reflections	100299	1124	6501
<I/σ(I)>	10.24	23.1	3.3
Completeness [%]	93.8	88.4	82.5
Redundancy	3.27		2.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	290	Internal tracking number 216475B10. PACT screen condition B10: 0.2 M MgCl2, 0.1 M MES pH 6.0, 20% PEG6000, MssmA.01026.b.A1 PW28765 at 25.2 mg/ml, VAPOR DIFFUSION, SITTING DROP, temperature 290K