6GKR

Crystal structure of branched-chain amino acid aminotransferase from Thermobaculum terrenum in PLP-form (holo-form)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL41XU
Synchrotron site	SPring-8
Beamline	BL41XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-06-26
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	1.0
Spacegroup name	C 2 2 21
Unit cell lengths	102.509, 146.610, 119.570
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	84.010 - 2.190
R-factor	0.1617
Rwork	0.159
R-free	0.20580
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6GKP
RMSD bond length	0.009
RMSD bond angle	1.604
Data reduction software	HKL-2000
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0222)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	84.010	2.260
High resolution limit [Å]	2.190	2.190
Rmeas	0.172	0.884
Number of reflections	45692
<I/σ(I)>	7
Completeness [%]	98.3	99
Redundancy	4.4	4.2
CC(1/2)	0.990	0.661

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIQUID DIFFUSION	7.5	293	HEPES 0.1M pH 7.5; Sodium chloride 3.4M