5ZOA

The crystal structure of a Thermobifida fusca cutinase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2010-01-14
Detector	DECTRIS PILATUS 300K
Wavelength(s)	0.9796
Spacegroup name	P 4 2 2
Unit cell lengths	86.298, 86.298, 76.117
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.542 - 1.537
R-factor	0.1664
Rwork	0.166
R-free	0.18010
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.147
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.12_2829: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.600
High resolution limit [Å]	1.537	1.540
Number of reflections	43283
<I/σ(I)>	2
Completeness [%]	99.8
Redundancy	18.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	3.0M NaCl, 4.0%(v/v) Polypropylene glycel P400, 0.1M HEPES pH 7.0