2D3K

Structural study on Project ID PH1539 from Pyrococcus horikoshii OT3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL26B2
Synchrotron site	SPring-8
Beamline	BL26B2
Temperature [K]	100
Detector technology	CCD
Collection date	2004-11-05
Detector	RIGAKU JUPITER 210
Wavelength(s)	1.0
Spacegroup name	P 43 2 2
Unit cell lengths	59.855, 59.855, 128.237
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.060 - 1.900
R-factor	0.208
Rwork	0.208
R-free	0.25500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1wn2
RMSD bond length	0.005
RMSD bond angle	1.200
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	1.970
High resolution limit [Å]	1.900	1.900
Rmerge	0.078	0.436
Number of reflections	19146
<I/σ(I)>	10.8	4.37
Completeness [%]	99.9	100
Redundancy	8.6	9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Microbach	6	291	PEG 8K 10w/v(%), MES 0.1M, Zn Acetate 0.2M, pH 6, Microbach, temperature 291K