3C6C

Crystal structure of a putative 3-keto-5-aminohexanoate cleavage enzyme (reut_c6226) from ralstonia eutropha jmp134 at 1.72 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2008-01-12
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.97964
Spacegroup name	I 2 2 2
Unit cell lengths	50.339, 121.397, 133.028
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.720 - 1.720
R-factor	0.154
Rwork	0.153
R-free	0.18400
Structure solution method	SAD
RMSD bond length	0.015
RMSD bond angle	1.469
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	REFMAC (5.4.0067)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	38.720	38.720	1.790
High resolution limit [Å]	1.720	3.570	1.720
Rmerge	0.080	0.052	0.444
Number of reflections	43691	5112	4860
<I/σ(I)>	11.66	27.1	2.7
Completeness [%]	99.8	99.6	99.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.8	277	NANODROP, 0.2M Lithium acetate, 20.0% PEG 3350, No Buffer pH 7.8, VAPOR DIFFUSION, SITTING DROP, temperature 277K