2AJZ

Crystal Structure of Cocaine catalytic Antibody 7A1 Fab' in Complex with ecgonine methyl ester

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	CCD
Collection date	2003-08-08
Detector	ADSC QUANTUM 210
Wavelength(s)	1.00000
Spacegroup name	P 1 21 1
Unit cell lengths	47.934, 78.489, 130.334
Unit cell angles	90.00, 91.87, 90.00

Refinement procedure

Resolution	50.000 - 2.300
Rwork	0.238
R-free	0.28500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ajs
RMSD bond length	0.009
RMSD bond angle	1.600
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	COMO
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.380
High resolution limit [Å]	2.300	2.300
Rmerge	0.099	0.363
Number of reflections	40412
Completeness [%]	90.2	65.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	295	PEG 4000, ammonium fluoride, sodium acetate, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 295K