2DDZ

Protein of Unknown Function from Pyrococcus horikoshi

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL26B1
Synchrotron site	SPring-8
Beamline	BL26B1
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2004-06-27
Detector	RIGAKU RAXIS
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	102.756, 132.433, 135.861
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.240
R-factor	0.215
Rwork	0.213
R-free	0.24700
Structure solution method	MAD
RMSD bond length	0.011
RMSD bond angle	1.449
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.320
High resolution limit [Å]	2.240	2.240
Rmerge	0.061	0.494
Number of reflections	88916
<I/σ(I)>	20.2	1.85
Completeness [%]	99.7	99.2
Redundancy	4.9	4.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	295	12% PEG 4000, 100mM Tris-HCl, 100mM Guanidine HCl, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 295K
1	VAPOR DIFFUSION, SITTING DROP	8.5	295	12% PEG 4000, 100mM Tris-HCl, 100mM Guanidine HCl, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 295K
1	VAPOR DIFFUSION, SITTING DROP	8.5	295	12% PEG 4000, 100mM Tris-HCl, 100mM Guanidine HCl, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 295K