2OWG

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	2006-10-12
Detector	RIGAKU RAXIS V
Wavelength(s)	1.54
Spacegroup name	P 41 21 2
Unit cell lengths	104.443, 104.443, 137.870
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.990 - 2.100
R-factor	0.21
Rwork	0.210
R-free	0.23400
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	1wng
RMSD bond length	0.009
RMSD bond angle	1.400
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.170
High resolution limit [Å]	2.100	2.100
Rmerge	0.040	0.250
Number of reflections	45065
<I/σ(I)>	21.4	8
Completeness [%]	99.9	99.2
Redundancy	13.4	12.4

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