1WMM

Crystal structure of PH1033 from Pyrococcus horikoshii Ot3

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL26B1
Synchrotron site	SPring-8
Beamline	BL26B1
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2004-04-09
Detector	RIGAKU RAXIS V
Wavelength(s)	1.0000
Spacegroup name	P 31 2 1
Unit cell lengths	95.694, 95.694, 44.225
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	32.480 - 2.200
R-factor	0.232
Rwork	0.232
R-free	0.24800
Structure solution method	MAD
RMSD bond length	0.007
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	2.280
High resolution limit [Å]	2.200	2.200
Rmerge	0.058	0.389
Number of reflections	12147
<I/σ(I)>	12.3	4.3
Completeness [%]	99.9	100
Redundancy	6.3	6.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	5.7	295	PEG4K, pH 5.7, microbatch, temperature 295K
1	MICROBATCH	5.7	295	PEG4K, pH 5.7, microbatch, temperature 295K