2VYX

Crystal structure of the T. thermophilus dodecin W38F mutant

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	2007-11-16
Detector	ADSC CCD
Spacegroup name	P 21 21 21
Unit cell lengths	67.630, 98.550, 139.840
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	9.990 - 1.500
R-factor	0.22
Rwork	0.218
R-free	0.25000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2v18
RMSD bond length	0.009
RMSD bond angle	1.423
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	9.990	1.540
High resolution limit [Å]	1.500	1.500
Rmerge	0.070	0.370
Number of reflections	178447
<I/σ(I)>	6.7	2.1
Completeness [%]	97.4	96.5
Redundancy	4.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1				0.2 M AMMONIUM ACETATE, 0.1 M SODIUM CITRATE, PH 5.2, 22.5 % MPD