4DBC

Substrate Activation in Aspartate Aminotransferase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Detector technology	CCD
Collection date	2010-02-03
Detector	MARMOSAIC 325 mm CCD
Spacegroup name	C 2 2 21
Unit cell lengths	84.290, 155.250, 77.960
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.617 - 1.500
R-factor	0.1704
Rwork	0.169
R-free	0.19350
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.016
RMSD bond angle	1.607
Data reduction software	DENZO
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	PHENIX ((phenix.refine: 1.7.1_743))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.617	1.540
High resolution limit [Å]	1.500	1.500
Rmerge	0.038	0.543
Number of reflections	80890
<I/σ(I)>	17.7	2.03
Completeness [%]	98.7	93.9
Redundancy	4.24	2.73

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	2 uL of protein solution(15-20 mg/ml, 50 mM TEA, pH 7.5, 100 mM KCL, 2 mM DTT, 10 mM deaza-PLP, 50 mM L-aspartate) mixed with 2 uL reservoir buffer (53-60% saturated ammonium sulfate and 50 mM TEA), VAPOR DIFFUSION, HANGING DROP, temperature 293K