3SUJ

Crystal structure of cerato-platanin 1 from M. perniciosa (MpCP1)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	LNLS BEAMLINE W01B-MX2
Synchrotron site	LNLS
Beamline	W01B-MX2
Temperature [K]	100
Detector technology	CCD
Collection date	2010-05-24
Detector	MAR CCD 165 mm
Wavelength(s)	1.45861
Spacegroup name	P 43 21 2
Unit cell lengths	45.280, 45.280, 105.470
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	14.510 - 1.340
R-factor	0.18603
Rwork	0.184
R-free	0.22009
Structure solution method	SAD
RMSD bond length	0.025
RMSD bond angle	2.254
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	SHELXS
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.410
High resolution limit [Å]	1.340	1.340
Rmerge	0.085	0.518
Number of reflections	25598
<I/σ(I)>	42.1	11.7
Completeness [%]	99.8	100
Redundancy	72.7	70.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.5	291	0.1 M sodium acetate pH 4.5, 20% PEG 1000, 0.2 M zinc acetate, VAPOR DIFFUSION, SITTING DROP, temperature 291K