2DR1

Crystal structure of the PH1308 protein from Pyrococcus horikoshii OT3

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL26B1
Synchrotron site	SPring-8
Beamline	BL26B1
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2006-03-17
Detector	RIGAKU RAXIS V
Wavelength(s)	0.978959, 0.979320, 1.0
Spacegroup name	P 65
Unit cell lengths	181.238, 181.238, 47.289
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.000 - 1.900
R-factor	0.18
Rwork	0.180
R-free	0.20200
Structure solution method	MAD
RMSD bond length	0.005
RMSD bond angle	1.300
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SOLVE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.970
High resolution limit [Å]	1.900	1.900
Rmerge	0.088	0.311
Number of reflections	70704
<I/σ(I)>	12.7	6.62
Completeness [%]	99.9	99
Redundancy	8.1	7.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	7.5	295	magnesium chloride, PEGMME550, HEPES, pH 7.5, microbatch, temperature 295K
1	MICROBATCH	7.5	295	magnesium chloride, PEGMME550, HEPES, pH 7.5, microbatch, temperature 295K
1	MICROBATCH	7.5	295	magnesium chloride, PEGMME550, HEPES, pH 7.5, microbatch, temperature 295K