2I5H

Crystal structure of Af1531 from Archaeoglobus fulgidus, Pfam DUF655

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X12C
Synchrotron site	NSLS
Beamline	X12C
Temperature [K]	100
Detector technology	CCD
Collection date	2006-06-05
Detector	ADSC QUANTUM 210
Wavelength(s)	0.9791
Spacegroup name	C 1 2 1
Unit cell lengths	76.730, 37.490, 85.250
Unit cell angles	90.00, 95.60, 90.00

Refinement procedure

Resolution	31.800 - 1.740
R-factor	0.2279
Rwork	0.228
R-free	0.25810
Structure solution method	SAD
RMSD bond length	0.005
RMSD bond angle	1.122
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SOLVE (& SHARP)
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	31.800	1.800
High resolution limit [Å]	1.740	1.740
Rmerge	0.032	0.319
Number of reflections	23465
<I/σ(I)>	23.5
Completeness [%]	93.5	56.3
Redundancy	9.7	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	294	30% PEG MME 5000, 0.1M MES, 0.2M Ammonium sulfate, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 294K
1	VAPOR DIFFUSION, SITTING DROP	6.5	294	30% PEG MME 5000, 0.1M MES, 0.2M Ammonium sulfate, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 294K