3ESU

Crystal structure of anthrax-neutralizing single-chain antibody 14b7

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.1
Synchrotron site	ALS
Beamline	8.2.1
Temperature [K]	100
Detector technology	CCD
Collection date	2003-12-14
Detector	ADSC QUANTUM 210
Wavelength(s)	0.96410
Spacegroup name	P 41 21 2
Unit cell lengths	80.176, 80.176, 67.825
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 1.300
R-factor	0.216
Rwork	0.216
R-free	0.23600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB entries 1JV5 1for
RMSD bond length	0.004
RMSD bond angle	1.419
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	EPMR
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.350
High resolution limit [Å]	1.300	1.300
Rmerge	0.079	0.466
Number of reflections	54301
<I/σ(I)>	9.4	4.5
Completeness [%]	99.1	100
Redundancy	12.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	298	20% PEG 4000, 0.1 M HEPES, 10% Isopropanol, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K