2P5F

Crystal 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
Wavelength(s)	1.5418
Spacegroup name	P 41 21 2
Unit cell lengths	104.773, 104.773, 139.958
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	14.990 - 2.500
R-factor	0.198
Rwork	0.198
R-free	0.22500
Structure solution method	DIFFERENCE FOURIER
Starting model (for MR)	1wng
RMSD bond length	0.009
RMSD bond angle	1.500
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	CNS (1.1)
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	0.096	0.605
Number of reflections	27603
<I/σ(I)>	9	4.4
Completeness [%]	100.0	100
Redundancy	12.8	12.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	5.5	291	3.85M Sodium formate, 0.1M Sodium acetate, pH 5.5, MICROBATCH, temperature 291K