1JNH

Crystal Structure of Fab-Estradiol Complexes

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Temperature [K]	298
Detector technology	IMAGE PLATE
Collection date	1998-07-03
Detector	MARRESEARCH
Wavelength(s)	1.54
Spacegroup name	P 1 21 1
Unit cell lengths	70.200, 192.900, 71.120
Unit cell angles	90.00, 92.93, 90.00

Refinement procedure

Resolution	40.000 - 2.850
R-factor	0.198 *
Rwork	0.198
R-free	0.25300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDN ENTRY: 1mfc & 1gig
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]	40.000	2.950
High resolution limit [Å]	2.850	2.850
Rmerge	0.109	0.550
Total number of observations	298099 *
Number of reflections	41521
<I/σ(I)>	7.1	2
Completeness [%]	93.5	92.2
Redundancy	7.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	7	298	MPEG 550, Imidazole Malate, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	5-15 (mg/ml)
2	1	reservoir	PEG550 MME	22.5 (%(w/w))
3	1	reservoir	imidazole-malate	200 (mM)	pH7.0
4	1	reservoir	Fab'	10 (mg/ml)