2DYY

Crystal structure of putative translation initiation inhibitor PH0854 from Pyrococcus horikoshii

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2005-11-26
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97914
Spacegroup name	P 1 2 1
Unit cell lengths	92.490, 43.090, 170.210
Unit cell angles	90.00, 91.51, 90.00

Refinement procedure

Resolution	29.730 - 2.600
R-factor	0.209
Rwork	0.209
R-free	0.29500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1xrg
RMSD bond length	0.007
RMSD bond angle	1.200
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.760
High resolution limit [Å]	2.600	2.600
Rmerge	0.096
Number of reflections	44546
Completeness [%]	96.6	80.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	2M NaCl, 0.1M TrisHCl pH 7.0, 30% (w/v) PEG 3000, VAPOR DIFFUSION, HANGING DROP, temperature 293K