2EJ3

Crystal Structure of T.th.HB8 Branched-Chain Amino Acid Aminotransferase Complexed with Gabapentin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL44B2
Synchrotron site	SPring-8
Beamline	BL44B2
Temperature [K]	100
Detector technology	CCD
Collection date	2003-05-27
Detector	MAR CCD 165 mm
Wavelength(s)	1.0
Spacegroup name	P 41 21 2
Unit cell lengths	143.714, 143.714, 115.717
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.930 - 2.200
R-factor	0.188
Rwork	0.188
R-free	0.21900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1wrv
RMSD bond length	0.006
RMSD bond angle	1.300
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	AMoRE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.280
High resolution limit [Å]	2.200	2.200
Number of reflections	60409
Completeness [%]	97.6	95.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	293	NaCl, MPD, Na Acetate, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K