2HUT

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	2005-11-30
Detector	RIGAKU RAXIS VII
Wavelength(s)	1.54
Spacegroup name	P 41 21 2
Unit cell lengths	105.550, 105.550, 138.257
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	14.990 - 2.400
R-factor	0.217
Rwork	0.217
R-free	0.26000
Structure solution method	DIFFERENCE FOURIER
Starting model (for MR)	1vce
RMSD bond length	0.007
RMSD bond angle	1.300
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]	15.000	2.490
High resolution limit [Å]	2.400	2.400
Rmerge	0.062	0.582
Number of reflections	31141
<I/σ(I)>	13	4.3
Completeness [%]	100.0	99.6
Redundancy	10.6	9.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	7	295	Sodium malonate, MES, pH 7.0, microbatch, temperature 295K