4W5K

Structure of a mitochondrial aspartate aminotransferase from Trypanosoma brucei, K237A mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2013-04-03
Detector	RAYONIX MX-300
Wavelength(s)	0.97856
Spacegroup name	P 1 21 1
Unit cell lengths	62.390, 96.660, 81.610
Unit cell angles	90.00, 111.03, 90.00

Refinement procedure

Resolution	38.088 - 1.700
R-factor	0.1542
Rwork	0.153
R-free	0.18290
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4eu1 native structure
RMSD bond length	0.010
RMSD bond angle	1.155
Data reduction software	XDS
Data scaling software	XSCALE
Refinement software	PHENIX ((phenix.refine: dev_1769))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000		1.740
High resolution limit [Å]	1.700	7.600	1.700
Rmerge	0.047	0.024	0.517
Rmeas	0.055	0.029	0.599
Total number of observations	372563
Number of reflections	97248	1083	7108
<I/σ(I)>	16.09	37.87	2.91
Completeness [%]	97.9	92.7	97
Redundancy	3.8		3.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	290	Rigaku Reagents JCSG+ G8: 20% PEG 3350, 150mM Na2 DL-malic acid; TrbrA.01471.a.B13.PS01760 at 28.8 mg/ml, tray 243596g8, puck qjb3-4