5Z7R

Crystal structure of crotonase from Clostridium acetobutylicum

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	2010-11-11
Detector	ADSC QUANTUM 270
Wavelength(s)	0.97956
Spacegroup name	P 32 1 2
Unit cell lengths	78.673, 78.673, 210.703
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	50.000 - 2.200
R-factor	0.1921
Rwork	0.189
R-free	0.25750
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1mj3
RMSD bond length	0.012
RMSD bond angle	1.569
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.240
High resolution limit [Å]	2.200	5.970	2.200
Rmerge	0.068	0.035	0.269
Number of reflections	37287	2012	1684
<I/σ(I)>	9.5
Completeness [%]	97.1	98.3	89.3
Redundancy	4.5	5.6	2.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	30% PEG 400, 0.1M Sodium cacodylate pH 6.5, 0.2M Lithium sulfate