2DM9

Crystal Structure of PH1978 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	2004-02-28
Detector	RIGAKU RAXIS V
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	52.196, 55.317, 77.481
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.660 - 1.850
R-factor	0.219
Rwork	0.219
R-free	0.25900
Structure solution method	MAD
RMSD bond length	0.007
RMSD bond angle	0.960
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	REFMAC (5.1.27)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	1.920
High resolution limit [Å]	1.850	1.850
Rmerge	0.065	0.277
Number of reflections	18477
<I/σ(I)>	11.6
Completeness [%]	98.8	99.8
Redundancy	4.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	8.5	295	PEG 4000, CHES, pH 8.5, microbatch, temperature 295K
1	MICROBATCH	8.5	295	PEG 4000, CHES, pH 8.5, microbatch, temperature 295K
1	MICROBATCH	8.5	295	PEG 4000, CHES, pH 8.5, microbatch, temperature 295K