7ZQL

d(CGCGTTAACGCG)2 B-DODECAMER AT 3100 BARS (310 MPa)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID27
Synchrotron site	ESRF
Beamline	ID27
Temperature [K]	298
Detector technology	CCD
Collection date	2009-03-09
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.3738
Spacegroup name	P 21 21 21
Unit cell lengths	25.230, 40.660, 65.200
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	17.920 - 2.550
R-factor	0.1843
Rwork	0.177
R-free	0.23480
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	1bna
RMSD bond length	0.005
RMSD bond angle	1.964
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	FFT
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.000	2.616
High resolution limit [Å]	2.550	2.550
Rmerge	0.112	0.353
Rpim	0.054	0.233
Number of reflections	2412	115
<I/σ(I)>	8.1	1.9
Completeness [%]	78.0	80.6
Redundancy	4.1	3.3
CC(1/2)	0.995	0.090

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE	6.9	298	10 micro-L of the nucleotide solution (10 mg/mL in cacodylate buffer) + 10 micro-L of a solution (20-30 % MPD + 0.01 M MGCl2)