2UYN

Crystal structure of E. coli TdcF with bound 2-ketobutyrate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-2
Synchrotron site	ESRF
Beamline	ID14-2
Temperature [K]	100
Detector technology	CCD
Collection date	2003-09-28
Detector	ADSC CCD
Spacegroup name	P 21 21 2
Unit cell lengths	72.581, 85.901, 62.661
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.480 - 1.600
R-factor	0.164
Rwork	0.162
R-free	0.20400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1qu9
RMSD bond length	0.015
RMSD bond angle	1.441
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.420	1.630
High resolution limit [Å]	1.600	1.600
Rmerge	0.060	0.240
Number of reflections	49864
<I/σ(I)>	13.67	2.08
Completeness [%]	94.9	71.2
Redundancy	3.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7		10% PEG 1000, 8% PEG 8000, NO BUFFER, pH 7.00