4WYS

Crystal structure of thiolase from Escherichia coli

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 7A (6B, 6C1)
Synchrotron site	PAL/PLS
Beamline	7A (6B, 6C1)
Temperature [K]	100
Detector technology	CCD
Collection date	2009-11-19
Detector	ADSC QUANTUM 210r
Wavelength(s)	1.23985
Spacegroup name	P 21 21 21
Unit cell lengths	75.007, 85.151, 269.113
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.100
R-factor	0.1716
Rwork	0.169
R-free	0.21790
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1dlv
RMSD bond length	0.016
RMSD bond angle	1.789
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.140
High resolution limit [Å]	2.100	2.100
Rmerge	0.080	0.306
Number of reflections	102062
<I/σ(I)>	21.6	3.9
Completeness [%]	99.6	99.7
Redundancy	6.2	5.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	295	PEG 400, Acetate, Calcium acetate