5CBQ

Crystal structure of a T1-like thiolase from Mycobacterium smegmatis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM14
Synchrotron site	ESRF
Beamline	BM14
Temperature [K]	100
Detector technology	CCD
Collection date	2013-07-11
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.95372
Spacegroup name	C 2 2 21
Unit cell lengths	113.460, 181.470, 271.730
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	135.870 - 2.450
R-factor	0.22782
Rwork	0.226
R-free	0.26757
RMSD bond length	0.015
RMSD bond angle	1.830
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	135.900	2.540
High resolution limit [Å]	2.450	2.450
Rmerge		0.520
Number of reflections	91315
<I/σ(I)>	7.5	1.7
Completeness [%]	89.1	84.2
Redundancy	1.8	1.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH		293	20% PEG 3350, 0.15 M calcium chloride dihydrate