5MR0

Thermophilic archaeal branched-chain amino acid transaminases from Geoglobus acetivorans and Archaeoglobus fulgidus: biochemical and structural characterisation

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-12-13
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9200
Spacegroup name	P 21 21 21
Unit cell lengths	73.210, 140.230, 168.320
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	64.720 - 1.980
R-factor	0.18122
Rwork	0.180
R-free	0.20942
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2eiy
RMSD bond length	0.013
RMSD bond angle	1.691
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	67.130	2.010
High resolution limit [Å]	1.980	1.980
Rmerge	0.115	2.070
Number of reflections	119864
<I/σ(I)>	11.2	0.8
Completeness [%]	99.0	95.6
Redundancy	5.6	4.7
CC(1/2)	0.997	0.249

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	6.5	291	0.1 M Sodium cacodylate, 0.2 M Magnesium chloride hexahydrate, 50 % v/v PEG 200, 5mM gabaculine