1JGL

Crystal structure of immunoglobulin Fab fragment complexed with 17-beta-estradiol

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200HB
Temperature [K]	100
Detector technology	IMAGE PLATE
Detector	RIGAKU RAXIS IIC
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	48.207, 64.496, 165.285
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.280 - 2.150
Rwork	0.199
R-free	0.24900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Combination PDB entries 1TET (heavy chain variable domain)and 1FDL (light chain variable domain and both constant_1 domains)
RMSD bond angle	0.006
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.250
High resolution limit [Å]	2.150	2.150
Rmerge	0.051	0.135
Number of reflections	25614
Completeness [%]	88.7	71.9
Redundancy	2.7	1.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9.1	277	PEG4000, PEG8000, Tris-HCl, pH 9.1, VAPOR DIFFUSION, SITTING DROP, temperature 277K