1Q0X

Anti-morphine Antibody 9B1 Unliganded Form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 14-BM-C
Synchrotron site	APS
Beamline	14-BM-C
Temperature [K]	110
Detector technology	CCD
Collection date	2001-09-15
Detector	ADSC QUANTUM 4
Spacegroup name	C 1 2 1
Unit cell lengths	56.514, 59.924, 114.706
Unit cell angles	90.00, 92.36, 90.00

Refinement procedure

Resolution	30.000 - 1.600
R-factor	0.216
Rwork	0.216
R-free	0.25100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	15C8 (CONSTANT DOMAIN) + PDB ENTRY 1E4X (VARIABLE DOMAIN)
RMSD bond length	0.005
RMSD bond angle	1.300
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.660
High resolution limit [Å]	1.600	1.600
Rmerge	0.061
Number of reflections	50732
<I/σ(I)>	22.8	1.52
Completeness [%]	99.3	97.7
Redundancy	4.7	2.63

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		4.6	298	22% PEG MME 2000, 0.2M ammonium sulfate, 0.1M sodium acetate, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K, pH 4.60