2ZSK

Crystal structure of PH1733, an aspartate racemase homologue, from Pyrococcus horikoshii OT3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2004-06-28
Detector	RIGAKU RAXIS VII
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	52.900, 95.100, 99.300
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.310 - 2.550
R-factor	0.228
Rwork	0.225
R-free	0.27300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1jfl
RMSD bond length	0.007
RMSD bond angle	1.100
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.640
High resolution limit [Å]	2.550	2.550
Rmerge	0.075
Number of reflections	16989
Completeness [%]	99.3	100

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	8	293	18% PEG 3350, 160mM calcium chloride, pH 8.0, VAPOR DIFFUSION, temperature 293K