6THQ

Crystal structure of branched-chain aminotransferase from thermophilic archaea Thermoproteus uzoniensis with norvaline

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	2015-10-10
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.7
Spacegroup name	P 32 1 2
Unit cell lengths	93.460, 93.460, 213.170
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	80.940 - 2.150
R-factor	0.1895
Rwork	0.187
R-free	0.23420
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ce8
RMSD bond length	0.019
RMSD bond angle	2.141
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	80.940	10.000	2.200
High resolution limit [Å]	2.150	4.000	2.150
Rmerge	0.064	0.024	1.111
Rmeas	0.068	0.025	1.183
Total number of observations	473788
Number of reflections	58111	8616	3766
<I/σ(I)>	22.96	70.83	2.26
Completeness [%]	99.7	99.7	98.2
Redundancy	8.153	8.055	8.309
CC(1/2)	1.000	1.000	0.761

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	0.1 M sodium acetate trihydrate, pH 4.6, 8% PEG 4000