3FCT

MATURE METAL CHELATASE CATALYTIC ANTIBODY WITH HAPTEN

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X12C
Synchrotron site	NSLS
Beamline	X12C
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1996-10-15
Detector	MARRESEARCH
Spacegroup name	P 21 21 2
Unit cell lengths	134.290, 100.689, 73.537
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.400
R-factor	0.206
Rwork	0.206
R-free	0.29300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1hkl
RMSD bond length	0.008
RMSD bond angle	1.400
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (0.4)

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	2.400
Rmerge	0.081
<I/σ(I)>	18.7
Completeness [%]	85.9
Redundancy	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	PROTEIN WAS CRYSTALLIZED FROM 27% PEG 2000-MME, 200 MM AMMONIUM SULFATE, 100 MM TRIS, PH 7.0, 10MM CADMIUM SULFATE, WITH 10-FOLD EXCESS OF DIASTEREOMERIC N- METHYLMESOPORPHYRIN AT 20C (HANGING DROP)., VAPOR DIFFUSION, HANGING DROP, temperature 293K