4EU1

Structure of a mitochondrial aspartate aminotransferase from Trypanosoma brucei

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E+ SUPERBRIGHT
Temperature [K]	100
Detector technology	CCD
Collection date	2012-04-06
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	62.260, 96.250, 81.320
Unit cell angles	90.00, 111.62, 90.00

Refinement procedure

Resolution	50.000 - 2.300
R-factor	0.1984
Rwork	0.196
R-free	0.24470
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4EFF modified with CCP4 program chainsaw
RMSD bond length	0.011
RMSD bond angle	1.375
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (2.3.0)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.360
High resolution limit [Å]	2.300	10.290	2.300
Rmerge	0.085	0.025	0.532
Number of reflections	38947	448	2800
<I/σ(I)>	12.82	36.62	3.1
Completeness [%]	98.0	95.1	96.5
Redundancy	3.8	3.6	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	290	EmeraldBio Wizard classic 3/4 B7: 20% PEG 3350, 200mM ammonium nitrate, TrbrA.34891.a.A1 PW34891 at 27.7 mg/ml, tray 232857g1, pH 7.5, vapor diffusion, sitting drop, temperature 290K