2ED5

Mutant S147M 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	2006-09-06
Detector	RIGAKU RAXIS VII
Wavelength(s)	1.5418
Spacegroup name	P 41 21 2
Unit cell lengths	105.394, 105.394, 138.964
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.810 - 2.100
R-factor	0.204
Rwork	0.204
R-free	0.21400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1wng
RMSD bond length	0.007
RMSD bond angle	1.300
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	CNS
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.170
High resolution limit [Å]	2.100	2.100
Rmerge	0.087	0.539
Number of reflections	46215
<I/σ(I)>	11.6	4.6
Completeness [%]	100.0	100
Redundancy	12.2	12.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Microbach	5.5	295	3.85M Na Formate, 0.1M Acetate, pH 5.5, Microbach, temperature 295K