1RIV

Anti-Cocaine Antibody M82G2 Complexed With meta-Oxybenzoylecgonine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU300
Temperature [K]	277
Detector technology	IMAGE PLATE
Collection date	2002-08-20
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 31 2 1
Unit cell lengths	75.833, 75.833, 153.499
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	38.000 - 2.200
R-factor	0.172
Rwork	0.172
R-free	0.21500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1AR3 (CONSTANT DOMAIN) + PDB ENTRY 1AXT (VARIABLE DOMAIN)
RMSD bond length	0.008
RMSD bond angle	1.530
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.000	2.280
High resolution limit [Å]	2.200	2.200
Number of reflections	26936
<I/σ(I)>	13.7	1.97
Completeness [%]	99.8	99.7
Redundancy	9.1	4.62

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.2	298	2M AMMONIUM SULFATE, 5% ISO-PROPANOL, pH 5.20, VAPOR DIFFUSION, HANGING DROP, temperature 298K