2FKO

Structure of PH1591 from Pyrococcus horikoshii OT3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	IMAGE PLATE
Detector	RIGAKU RAXIS
Wavelength(s)	1.5418
Spacegroup name	F 41 3 2
Unit cell lengths	157.412, 157.412, 157.412
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.230 - 1.850
R-factor	0.192
Rwork	0.192
R-free	0.20700
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	1v3w
RMSD bond length	0.015
RMSD bond angle	2.500
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.920
High resolution limit [Å]	1.850	1.850
Rmerge	0.098	0.288
Number of reflections	14772
Completeness [%]	99.6	98

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.58	295	PEG4000 22.5% 0.1M MESS-NaOH, 0.1M LiCl2, pH 5.58, VAPOR DIFFUSION, SITTING DROP, temperature 295K