1EKV

HUMAN BRANCHED CHAIN AMINO ACID AMINOTRANSFERASE (MITOCHONDRIAL): THREE DIMENSIONAL STRUCTURE OF ENZYME INACTIVATED BY TRIS BOUND TO THE PYRIDOXAL-5'-PHOSPHATE ON ONE END AND ACTIVE SITE LYS202 NZ ON THE OTHER.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	223
Detector technology	IMAGE PLATE
Collection date	1998-03-17
Detector	RIGAKU RAXIS IV
Spacegroup name	P 32
Unit cell lengths	83.740, 83.740, 104.810
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	34.270 - 2.500 *
R-factor	0.195
Rwork	0.189
R-free	0.27000 *
Starting model (for MR)	E. COLI BRANCHED CHAIN AMINO ACID AMINOTRANSFERASE
RMSD bond length	0.012
RMSD bond angle	24.200 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (0.9)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.270	2.330
High resolution limit [Å]	2.300 *	2.250
Rmerge	0.127	0.263
Number of reflections	37970 *
<I/σ(I)>	6.19
Completeness [%]	82.1 *	69.4
Redundancy	1.8	2.29

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7 *	298	AMMONIUM SULPHATE, DTT, TRIS, pH 8.2, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	2.5 (mg/ml)
2	1	drop	HEPES	50 (mM)
3	1	drop	dithiothreitol	20 (mM)
4	1	drop	EDTA	50 (mM)
5	1	reservoir	ammonium sulfate	2.4 (M)
6	1	reservoir	dithiothreitol	20 (mM)
7	1	reservoir	Tris-HCl	100 (mM)