1O4S

Crystal structure of Aspartate aminotransferase (TM1255) from Thermotoga maritima at 1.90 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 14-BM-C
Synchrotron site	APS
Beamline	14-BM-C
Temperature [K]	100
Detector technology	CCD
Collection date	2003-04-16
Detector	ADSC QUANTUM 4
Spacegroup name	P 21 21 21
Unit cell lengths	64.048, 79.509, 170.184
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.000 - 1.900
R-factor	0.16
Rwork	0.159
R-free	0.20000
Structure solution method	MR
Starting model (for MR)	1bkg
RMSD bond length	0.017
RMSD bond angle	1.620 *
Data reduction software	MOSFLM
Data scaling software	SCALA (4.2))
Phasing software	MOLREP
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.000 *	2.000
High resolution limit [Å]	1.900	1.900
Rmerge	0.063 *	0.422 *
Total number of observations	249027 *
Number of reflections	59510
<I/σ(I)>	15.9	1.7
Completeness [%]	85.8	50.6
Redundancy	4.8	1.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	7.9 *	293	2.4 (NH4)2SO4 9 CHES , VAPOR DIFFUSION,SITTING DROP,NANODROP, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	Tris	20 (mM)	pH7.9
2	1	drop		150 (mM)
3	1	drop	TCEP	0.25 (mM)
4	1	drop	protein	18 (mg/ml)
5	1	reservoir	ammonium sulfate	2.4 (M)
6	1	reservoir	CHES	0.1 (M)	pH9.0