2CSU

Crystal structure of PH0766 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	2005-02-04
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.54178
Spacegroup name	C 1 2 1
Unit cell lengths	143.459, 70.589, 88.514
Unit cell angles	90.00, 90.66, 90.00

Refinement procedure

Resolution	19.850 - 2.200
R-factor	0.246
Rwork	0.246
R-free	0.26100
Structure solution method	MAD
RMSD bond length	1.400
RMSD bond angle	0.018
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	SOLVE
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	0.109	0.575
Number of reflections	45198
<I/σ(I)>	8	2.91
Completeness [%]	99.9	99.4
Redundancy	7.6	6.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	4.7	295	PEG4000, pH 4.7, microbatch, temperature 295K
1	MICROBATCH	4.7	295	PEG4000, pH 4.7, microbatch, temperature 295K
1	MICROBATCH	4.7	295	PEG4000, pH 4.7, microbatch, temperature 295K