2ELE

Mutant V18C 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	2006-11-30
Detector	RIGAKU RAXIS VII
Wavelength(s)	1.5418
Spacegroup name	P 41 21 2
Unit cell lengths	104.700, 104.700, 139.471
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.400
R-factor	0.193
Rwork	0.193
R-free	0.22000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1wng
RMSD bond length	0.006
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	2.490
High resolution limit [Å]	2.400	2.400
Rmerge	0.087	0.606
Number of reflections	30939
<I/σ(I)>	10.2	4.7
Completeness [%]	100.0	100
Redundancy	13.2	13.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Microbach	5.5	295	3.85M Na Formic acid, 0.1M Acetic acid, pH 5.5, Microbach, temperature 295K