6Q8E

Crystal structure of branched-chain amino acid aminotransferase from Thermobaculum terrenum in PMP-form

Replaces:  6GKP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-1
Synchrotron site	ESRF
Beamline	MASSIF-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-09-26
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9677
Spacegroup name	H 3 2
Unit cell lengths	144.750, 144.750, 144.500
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.830 - 1.500
R-factor	0.1418
Rwork	0.140
R-free	0.17630
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6gkr
RMSD bond length	0.019
RMSD bond angle	2.215
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	19.830	50.000	1.600
High resolution limit [Å]	1.500	19.830	1.500
Rmerge	0.062		0.699
Rmeas	0.067		0.749
Total number of observations	690288
Number of reflections	92398		16115
<I/σ(I)>	17.04		2.83
Completeness [%]	99.9		99.8
Redundancy	7.471		7.711
CC(1/2)	0.999		0.829

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	288	Ammonium acetate 0.2M; MES 0.1M pH 6.0; PEG 3350 25%