2AI0

Anti-Cocaine Antibody 7.5.21, Crystal Form III

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	105
Detector technology	CCD
Collection date	2004-07-04
Detector	ADSC QUANTUM 315
Wavelength(s)	0.89996
Spacegroup name	P 21 21 2
Unit cell lengths	159.979, 216.355, 58.320
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	129.100 - 2.200
Rwork	0.222
R-free	0.27900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2a1w constant and variable domains used separately
RMSD bond length	0.010
RMSD bond angle	1.342
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.280
High resolution limit [Å]	2.200	2.200
Rmerge	0.059
Number of reflections	101629
<I/σ(I)>	26.7	1.8
Completeness [%]	97.8	91.6
Redundancy	6.9	6.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	277	16% PEG8000, 0.3M ammonium sulfate, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K