1PT8

Crystal structure of the yfdW gene product of E. coli, in complex with oxalate and acetyl-CoA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	CCD
Collection date	2003-04-09
Detector	ADSC QUANTUM 210
Wavelength(s)	0.979257
Spacegroup name	P 62
Unit cell lengths	146.786, 146.786, 129.905
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 2.200
R-factor	0.18251
Rwork	0.181
R-free	0.20400 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Apo-form
RMSD bond length	0.016 *
RMSD bond angle	1.600 *
Data reduction software	DENZO
Data scaling software	CCP4 ((SCALA))
Phasing software	AMoRE
Refinement software	REFMAC (5.1.19)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.320
High resolution limit [Å]	2.200	2.200
Rmerge	0.114 *	0.030 *
Number of reflections	79388
<I/σ(I)>	3.9	3
Completeness [%]	98.7	98.3
Redundancy	4	0.234 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.5 *	298	PEG600, cacodylate,oxalate, acethylCoA , pH 6.5, VAPOR DIFFUSION, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	11 (mg/ml)
2	1	drop	sodium HEPES	5 (mM)
3	1	drop		150 (mM)
4	1	reservoir	ammonium phosphate	0.9 (M)
5	1	reservoir	sodium HEPES	0.1 (M)	pH7.5