4F5I

Substrate Specificity Conversion of E. coli Pyridoxal-5'-Phosphate Dependent Aspartate Aminotransferase to Tyrosine Aminotransferase: Chimera P4.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU300
Temperature [K]	85
Detector technology	CCD
Collection date	2010-07-14
Detector	BRUKER SMART 6000
Wavelength(s)	1.54
Spacegroup name	P 21 21 21
Unit cell lengths	59.959, 103.065, 138.834
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.217 - 2.200
R-factor	0.1747
Rwork	0.173
R-free	0.21160
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.039
Data reduction software	PROTEUM PLUS (PLUS)
Data scaling software	PROTEUM PLUS (PLUS)
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.7.1_743))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.000	2.290
High resolution limit [Å]	2.200	2.200
Rmerge	0.056	0.311
Number of reflections	44527
<I/σ(I)>	18.07	3.34
Completeness [%]	99.9	99.2
Redundancy	11.14	6.41

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	277	8% PEG 4000, 0.1 M Sodium Acetate, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 277K