2JJA

Crystal structure of GNA with synthetic copper base pair

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	CCD
Collection date	2007-11-24
Detector	ADSC CCD
Spacegroup name	I 21 21 21
Unit cell lengths	18.160, 48.590, 59.870
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 1.300
R-factor	0.126
Rwork	0.124
R-free	0.14800
Structure solution method	MAD
Starting model (for MR)	NONE
RMSD bond length	0.015
RMSD bond angle	2.074
Data reduction software	XDS
Data scaling software	XSCALE
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	10.000	1.330
High resolution limit [Å]	1.300	1.300
Rmerge	0.080	0.300
Number of reflections	7095
<I/σ(I)>	20.4	4
Completeness [%]	99.1	99.8
Redundancy	11.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		5.5		10% MPD, 40 MM SODIUM CACODYLATE, PH=5.5, 20 MM COBALT HEXAMINE, 80 MM NACL, 20 MM MGCL2.