2P6K

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	2006-09-08
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 41 21 2
Unit cell lengths	105.558, 105.558, 138.072
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.830 - 2.100
Rwork	0.195
R-free	0.21000
Structure solution method	DIFFERENCE FOURIER
Starting model (for MR)	1wng
RMSD bond length	0.013
RMSD bond angle	1.800
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]	19.830	2.170
High resolution limit [Å]	2.100	2.100
Rmerge	0.055	0.488
Number of reflections	46212
<I/σ(I)>	12.1	4.26
Completeness [%]	100.0	100
Redundancy	8.7	8.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	6.5	291	1.8M Ammonium sulfate, 0.1M MES, pH 6.5, MICROBATCH, temperature 291K