4E2F

Crystal Structure of E. coli Aspartate Transcarbamoylase K164E/E239K Mutant in an intermediate state

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2008-06-19
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	124.086, 144.814, 203.359
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.888 - 2.800
R-factor	0.2171
Rwork	0.214
R-free	0.27420
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	1.511
Data reduction software	d*TREK
Data scaling software	d*TREK
Phasing software	MOLREP
Refinement software	PHENIX ((phenix.refine: 1.7.2_869))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.890	2.900
High resolution limit [Å]	2.800	2.800
Rmerge	0.081	0.473
Number of reflections	83815
<I/σ(I)>	8.7	2.2
Completeness [%]	92.4	92.4
Redundancy	3.33	3.35

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.75	293	16% (w/v) PEG 4000, 0.04 M Na2MoO4, 0.04 M N-cyclohexyl-3-aminopropanesulfonic acid, 30 mM Tris-acetate, pH 8.75, VAPOR DIFFUSION, HANGING DROP, temperature 293K