2EK4

Structural study of Project ID PH0725 from Pyrococcus horikoshii OT3 (L8M)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2006-10-25
Detector	RIGAKU RAXIS VII
Wavelength(s)	1.5418
Spacegroup name	P 41 21 2
Unit cell lengths	104.662, 104.662, 138.375
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.680 - 2.200
R-factor	0.194
Rwork	0.192
R-free	0.23000
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond angle	0.005
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.280
High resolution limit [Å]	2.200	2.200
Rmerge	0.087	0.627
Number of reflections	39736
<I/σ(I)>	9.3	4.85
Completeness [%]	100.0	100
Redundancy	11.4	11.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	5.5	291	3.85M Na Formic acid, 0.1M Acetic acid, pH 5.5, MICROBATCH, temperature 291K