4W61

Crystal structure of beta-ketoacyl thiolase B (BktB) from Ralstonia eutropha

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	CCD
Collection date	2012-06-23
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9795
Spacegroup name	P 1
Unit cell lengths	72.050, 105.987, 201.142
Unit cell angles	89.97, 89.98, 89.93

Refinement procedure

Resolution	41.790 - 2.010
R-factor	0.17774
Rwork	0.176
R-free	0.20831
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4dd5
RMSD bond length	0.005
RMSD bond angle	0.686
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Refinement software	REFMAC (5.8.0107)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.030
High resolution limit [Å]	2.000	5.430	2.000
Rmerge	0.056	0.030	0.444
Total number of observations	644834
Number of reflections	394877
<I/σ(I)>	13.4
Completeness [%]	94.0	96.3	93.7
Redundancy	1.7	1.8	1.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	295	22% PEG 4000, 100 mM HEPES 7.0, 12% glycerol