3TW7

Structure of Rhizobium etli pyruvate carboxylase T882A crystallized without acetyl coenzyme-A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	298
Detector technology	CCD
Collection date	2009-07-26
Detector	ADSC QUANTUM 315
Wavelength(s)	0.979
Spacegroup name	I 41
Unit cell lengths	264.158, 264.158, 91.790
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 3.100
R-factor	0.25194
Rwork	0.250
R-free	0.29189
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.672
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.850
High resolution limit [Å]	2.750	2.750
Rmerge	0.097	0.568
Number of reflections	82806
<I/σ(I)>	21.2	3.3
Completeness [%]	100.0	100
Redundancy	9.5	8.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	298	16% PEG 4000, 10% MPD, 0.2M potassium bromide, 0.1 M triethanolamine, 0.1 M sodium formate, 0.1 M sodium L-aspartate, 2 mM TCEP, 5 mM adenosine 5'[gamma-thio]triphosphate, 10 mM magnesium chloride, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K