2P62

Crystal structure of hypothetical protein PH0156 from Pyrococcus horikoshii OT3

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2007-01-30
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97928
Spacegroup name	P 61
Unit cell lengths	122.071, 122.071, 109.067
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	40.670 - 2.500
Rwork	0.213
R-free	0.24400
Structure solution method	SAD
RMSD bond length	0.007
RMSD bond angle	1.158
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SGXPRO
Refinement software	CNS

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.590
High resolution limit [Å]	2.500	5.380	2.500
Rmerge		0.071	0.221
Number of reflections	31973
<I/σ(I)>	19
Completeness [%]	100.0	99.9	100
Redundancy	10.5	9.2	11.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.8	293	USING 1 MICROLITER DROPS CONTAINING EQUAL VOLUMES OF PROTEIN CONCENTRATE (10.0 mg/ml) AND RESERVOIR SOLUTION CONTAINING 24% v/v MPD, 0.1M Sodium acetate (pH 4.8), 0.1M Magnesium chloride, VAPOR DIFFUSION, SITTING DROP, temperature 293K