1WR2

Crystal structure of PH1788 from Pyrococcus horikoshii Ot3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL26B1
Synchrotron site	SPring-8
Beamline	BL26B1
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2004-07-02
Detector	RIGAKU RAXIS V
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	46.346, 60.643, 96.134
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.670 - 2.000
R-factor	0.228
Rwork	0.228
R-free	0.25200
Structure solution method	MIR
RMSD bond length	0.006
RMSD bond angle	1.300
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]	40.000	2.070
High resolution limit [Å]	2.000	2.000
Rmerge	0.043	0.702
Number of reflections	18934
<I/σ(I)>	13.6	3.5
Completeness [%]	100.0	100
Redundancy	6.8	6.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	6.5	295	JAM, pH 6.5, microbatch, temperature 295K
1	MICROBATCH	6.5	295	JAM, pH 6.5, microbatch, temperature 295K
1	MICROBATCH	6.5	295	JAM, pH 6.5, microbatch, temperature 295K