2DRX

Structure Analysis of (POG)4-(LOG)2-(POG)4

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-6A
Synchrotron site	Photon Factory
Beamline	BL-6A
Temperature [K]	100
Detector technology	CCD
Collection date	2004-06-25
Detector	ADSC QUANTUM 4
Wavelength(s)	0.978
Spacegroup name	P 1 21 1
Unit cell lengths	29.894, 22.751, 46.372
Unit cell angles	90.00, 107.62, 90.00

Refinement procedure

Resolution	8.000 - 1.400
Rwork	0.160
R-free	0.21400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1v4f
RMSD bond length	0.009
RMSD bond angle	0.023
Data scaling software	HKL-2000
Phasing software	X-PLOR
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.450
High resolution limit [Å]	1.400	1.400
Rmerge	0.043	0.294
Number of reflections	10986
<I/σ(I)>	10.5
Completeness [%]	99.8	99.7
Redundancy	3.6	3.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	277	13.5% PEG 2000, 0.05M citrate buffer, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K