2PB6

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	2006-11-24
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 41 21 2
Unit cell lengths	104.786, 104.786, 139.742
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.760 - 2.200
R-factor	0.203
Rwork	0.203
R-free	0.22100
Structure solution method	DIFFERENCE FOURIER
Starting model (for MR)	PDB ENTR 1WNG
RMSD bond angle	0.007
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	2.280
High resolution limit [Å]	2.200	2.200
Rmerge	0.060	0.571
Number of reflections	40382
<I/σ(I)>	13.4	5.2
Completeness [%]	100.0	100
Redundancy	13.7	13.2

Crystallization Conditions

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