2ENI

Mutant F197M 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	2007-01-24
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 41 21 2
Unit cell lengths	105.633, 105.633, 139.531
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.500
R-factor	0.19
Rwork	0.190
R-free	0.22200
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	2.590
High resolution limit [Å]	2.500	2.500
Rmerge	0.075	0.599
Number of reflections	27913
<I/σ(I)>	11	5.2
Completeness [%]	100.0	100
Redundancy	14.2	14.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	6.5	295	1.87M Na Malonic acid, 0.1M Citric acid, pH 6.5, Microbatch, temperature 295K