1FYR

DIMER FORMATION THROUGH DOMAIN SWAPPING IN THE CRYSTAL STRUCTURE OF THE GRB2-SH2 AC-PYVNV COMPLEX

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ELETTRA BEAMLINE 5.2R
Synchrotron site	ELETTRA
Beamline	5.2R
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1996-04-14
Detector	MARRESEARCH
Spacegroup name	P 43 21 2
Unit cell lengths	77.610, 77.610, 183.470
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.400
R-factor	0.22
Rwork	0.217
R-free	0.27000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1gri
RMSD bond length	0.007
RMSD bond angle	24.200 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.580
High resolution limit [Å]	2.400	2.400
Rmerge	0.094	0.252
Total number of observations	140468 *
Number of reflections	22423
<I/σ(I)>	16.8
Completeness [%]	98.4	97.7
Redundancy	6.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.7	20 *	11% PEG 3350, 0.5M NaCL, 0.1M MES/NaOH pH 5.7, VAPOR DIFFUSION, HANGING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	Tris-HCl	20 (mM)
2	1	drop		300 (mM)
3	1	reservoir	PEG3350	11 (%)
4	1	reservoir	MES-NaOH	100 (mM)
5	1	reservoir		0.5 (M)