3QPC

Structure of Fusarium Solani Cutinase expressed in Pichia pastoris, crystallized in the presence of Paraoxon

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X6A
Synchrotron site	NSLS
Beamline	X6A
Temperature [K]	100
Detector technology	CCD
Collection date	2010-02-05
Detector	ADSC QUANTUM 270
Wavelength(s)	0.77009
Spacegroup name	P 21 21 21
Unit cell lengths	36.800, 64.385, 70.546
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.970 - 0.978
R-factor	0.1498
Rwork	0.149
R-free	0.16330
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	1.521
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX ((phenix.refine: 1.6.1_357))

Data quality characteristics

	Overall
Low resolution limit [Å]	19.970
High resolution limit [Å]	0.978
Number of reflections	80123
Completeness [%]	90.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.9	298	20% (w/v) PEG3350, 0.2M magnesium formate, pH 5.9, VAPOR DIFFUSION, HANGING DROP, temperature 298K