5E25

Crystal structure of branched-chain aminotransferase from thermophilic archaea Geoglobus acetivorans complexed with alpha-ketoglutarate

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	2014-12-15
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0
Spacegroup name	P 32 2 1
Unit cell lengths	117.310, 117.310, 135.310
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	58.650 - 2.200
R-factor	0.1525
Rwork	0.150
R-free	0.20850
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2eiy
RMSD bond length	0.019
RMSD bond angle	2.111
Data reduction software	iMOSFLM
Data scaling software	Aimless (0.1.27)
Phasing software	BALBES
Refinement software	REFMAC (5.8.0131)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	67.660	67.660	2.260
High resolution limit [Å]	2.200	9.330	2.200
Rmerge	0.129	0.073	0.655
Rpim	0.031	0.017	0.156
Total number of observations	974881	15056	81992
Number of reflections	55018
<I/σ(I)>	15.1	34.1	4.9
Completeness [%]	99.9	99.7	99.8
Redundancy	17.7	18.4	18.4
CC(1/2)	0.998	0.998	0.926

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	293	0.2M CaCl2, 0.1M Na acetate, 20% isopropanol