2AJS

Crystal structure of cocaine catalytic antibody 7A1 Fab' in complex with heptaethylene glycol

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2003-02-21
Detector	ADSC QUANTUM 4
Wavelength(s)	0.983969
Spacegroup name	P 43 21 2
Unit cell lengths	88.107, 88.107, 135.397
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	22.300 - 1.700
Rwork	0.209
R-free	0.23300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1clo
RMSD bond length	0.010
RMSD bond angle	1.326
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC (5.1.9999)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.760
High resolution limit [Å]	1.700	3.660	1.700
Rmerge	0.057	0.026	0.787
Number of reflections	59095
Completeness [%]	99.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	295	PEG 400, ammonium sulfate, Hepes, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 295K