6PWI

Structure of CpGH84D

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-02-18
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97910
Spacegroup name	P 65
Unit cell lengths	195.723, 195.723, 106.467
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	38.920 - 2.650
R-factor	0.1729
Rwork	0.171
R-free	0.20830
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2v5c
RMSD bond length	0.003
RMSD bond angle	1.036
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.8.0253)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.920	2.710
High resolution limit [Å]	2.650	2.650
Rmerge	0.095	0.477
Rpim	0.062	0.324
Number of reflections	66655	4477
<I/σ(I)>	14.3	3.5
Completeness [%]	98.8	99.3
Redundancy	5.7	5.6
CC(1/2)	0.995	0.778

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	291	25% PEG4000, 0.2 M (NH4)2SO4 and 0.1 M sodium citrate:HCl