2ED3

Mutant I127M 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 VII
Wavelength(s)	1.5418
Spacegroup name	P 41 21 2
Unit cell lengths	105.275, 105.275, 138.405
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.790 - 2.500
R-factor	0.201
Rwork	0.201
R-free	0.24800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1wng
RMSD bond length	0.015
RMSD bond angle	1.600
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	2.590
High resolution limit [Å]	2.500	2.500
Rmerge	0.080	0.580
Number of reflections	27511
<I/σ(I)>	12	5.6
Completeness [%]	100.0	100
Redundancy	13.2	13.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Microbach	7	295	1.87M Na Malonate, 0.1M MES, 1mM DTT, pH 7.0, Microbach, temperature 295K