2HR8

Crystal structure of PH0725 from Pyrococcus horikoshii OT3

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	CCD
Collection date	2005-12-18
Detector	RIGAKU JUPITER 210
Wavelength(s)	1.071601
Spacegroup name	P 41 21 2
Unit cell lengths	104.581, 104.581, 139.110
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.290 - 2.800
R-factor	0.208
Rwork	0.208
R-free	0.24300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1wng
RMSD bond length	0.008
RMSD bond angle	1.400
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.900
High resolution limit [Å]	2.800	2.800
Rmerge	0.148	0.426
Number of reflections	19573
<I/σ(I)>	9.1	3.6
Completeness [%]	99.9	99.6
Redundancy	8.6	7.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	5.5	291	3.85M Sodium Formate, 0.1M Sodium Acetate, pH 5.5, MICROBATCH, temperature 291K