2E8H

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	2006-10-16
Detector	RIGAKU RAXIS V
Wavelength(s)	1.54
Spacegroup name	P 41 21 2
Unit cell lengths	105.034, 105.034, 139.760
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.760 - 2.100
Rwork	0.211
R-free	0.22700
Structure solution method	DIFFERENCE FOURIER
Starting model (for MR)	1vce
RMSD bond length	0.008
RMSD bond angle	1.400
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.170
High resolution limit [Å]	2.100	2.100
Rmerge	0.057	0.480
Number of reflections	46321
<I/σ(I)>	14.9	6.2
Completeness [%]	100.0	100
Redundancy	13.7	13.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	oil microbatch	5.5	295	3.86M Sodium formate, 0.1M Acetate, pH 5.5, oil microbatch, temperature 295K