2OWF

Crystal structure of PH0725 from Pyrococcus horikoshii OT3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2006-09-11
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.54
Spacegroup name	P 63 2 2
Unit cell lengths	114.208, 114.208, 114.293
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.790 - 2.200
R-factor	0.211
Rwork	0.211
R-free	0.22500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1wng
RMSD bond length	0.007
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]	20.000	2.280
High resolution limit [Å]	2.200	2.200
Rmerge	0.089	0.591
Number of reflections	22826
<I/σ(I)>	9.5	5.9
Completeness [%]	100.0	100
Redundancy	19.5	18.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	oil microbatch	5.5	295	3.86M Sodium formate, 0.1M Acetate, pH 5.5, oil microbatch, temperature 295K