2A1H

X-ray crystal structure of human mitochondrial branched chain aminotransferase (BCATm) complexed with gabapentin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE F1
Synchrotron site	CHESS
Beamline	F1
Temperature [K]	223
Detector technology	CCD
Collection date	2002-01-01
Detector	ADSC QUANTUM 4
Wavelength(s)	1.071
Spacegroup name	P 1 21 1
Unit cell lengths	58.823, 109.369, 59.252
Unit cell angles	90.00, 96.73, 90.00

Refinement procedure

Resolution	25.000 - 1.800
R-factor	0.208
Rwork	0.208
R-free	0.23200
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.830
High resolution limit [Å]	1.800	1.800
Rmerge	0.055	0.347
Number of reflections	68210
Completeness [%]	99.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	298	PEG 1500, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K