2V19

Crystal structure of the T. thermophilus dodecin R45A mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	ENRAF-NONIUS FR591
Temperature [K]	11
Detector technology	IMAGE PLATE
Collection date	2005-03-22
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	67.294, 68.494, 229.891
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.000 - 2.590
R-factor	0.207
Rwork	0.206
R-free	0.23400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1mog
RMSD bond length	0.006
RMSD bond angle	1.002
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	2.660
High resolution limit [Å]	2.580	2.590
Rmerge	0.090	0.240
Number of reflections	32742
<I/σ(I)>	13.2	3.5
Completeness [%]	95.9
Redundancy	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1				0.1 M AMMONIUM SULFATE, 0.05 M SODIUM CACODYLATE, PH 6.5 AND 15% PEG 8000