3LLN

Comparison between the orthorhombic an tetragonal form of the heptamer sequence d(GCG(xT)GCG)/d(CGCACGC).

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X12
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X12
Temperature [K]	100
Detector technology	CCD
Collection date	2007-09-06
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.9537
Spacegroup name	P 41 21 2
Unit cell lengths	25.482, 25.482, 81.147
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	18.150 - 3.000
R-factor	0.22599
Rwork	0.226
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3FL6 (one biological unit)
RMSD bond length	0.012
RMSD bond angle	1.943
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.5.0072)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	18.550	3.160
High resolution limit [Å]	3.000	3.000
Rmerge	0.105	0.174
Number of reflections	681
<I/σ(I)>	10.6	4.5
Completeness [%]	99.6	100
Redundancy	11.4	12.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	289	10%(V/V) 2-METHYL-2,4-PENTANEDIOL(MPD), 20MM COBALT HEXAMINE, 40MM POTASSIUM CACODYLATE BUFFERED AT PH=5.5, AND 80/12MM KCL/NACL, VAPOR DIFFUSION, HANGING DROP, temperature 289K