5LUJ

Structure of cutinase 2 from Thermobifida cellulosilytica

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM30A
Synchrotron site	ESRF
Beamline	BM30A
Temperature [K]	100
Detector technology	CCD
Collection date	2013-06-20
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.87260
Spacegroup name	P 2 21 21
Unit cell lengths	36.670, 43.150, 152.350
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.517 - 2.200
R-factor	0.1855
Rwork	0.183
R-free	0.24140
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1jfr
RMSD bond length	0.006
RMSD bond angle	0.786
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.150	2.320
High resolution limit [Å]	2.200	2.200
Rmerge	0.105	0.235
Number of reflections	12953
<I/σ(I)>	14.8	7.8
Completeness [%]	100.0	99.9
Redundancy	7.8	7.5
CC(1/2)	0.995	0.974

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293.15	0.1 M potassium thiocyanate and 30% w/v PEG monomethyl ether 2000