2PRR

Crystal structure of alkylhydroperoxidase AhpD core: uncharacterized peroxidase-related protein (YP_296737.1) from Ralstonia eutropha JMP134 at 2.15 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	CCD
Collection date	2006-12-04
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91837, 0.97932, 0.97905
Spacegroup name	P 1
Unit cell lengths	65.105, 93.953, 120.898
Unit cell angles	84.26, 81.64, 77.73

Refinement procedure

Resolution	48.912 - 2.150
R-factor	0.213
Rwork	0.211
R-free	0.26200
Structure solution method	MAD
RMSD bond length	0.018
RMSD bond angle	1.535
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.912		1.950
High resolution limit [Å]	1.880	3.210	1.880
Rmerge	0.079	0.047	0.419
Number of reflections	211872
<I/σ(I)>	6.23	11.9	2
Completeness [%]	87.2	93.1	77.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9.1	277	NANODROP, 0.2M Na2HPO4, 20.0% PEG 3350, No Buffer pH 9.1, VAPOR DIFFUSION, SITTING DROP, temperature 277K