4EB0

Crystal structure of Leaf-branch compost bacterial cutinase homolog

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL44XU
Synchrotron site	SPring-8
Beamline	BL44XU
Temperature [K]	100
Detector technology	CCD
Collection date	2011-10-10
Detector	BRUKER SMART 6500
Wavelength(s)	0.9
Spacegroup name	P 21 21 21
Unit cell lengths	40.911, 71.084, 72.726
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 1.500
R-factor	0.15801
Rwork	0.157
R-free	0.18630
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1jfr
RMSD bond length	0.007
RMSD bond angle	1.000
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC (refmac_5.5.0109)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.530
High resolution limit [Å]	1.500	4.070	1.500
Rmerge	0.106	0.054	0.419
Number of reflections	35110
<I/σ(I)>	31.657		0.419
Completeness [%]	99.9	99.5	100
Redundancy	13.7	12.7	12.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	20% (w/v) polyethylene glycol (PEG) 3350, 200mM sodium thiocyanate, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K