1BMB

GRB2-SH2 DOMAIN IN COMPLEX WITH KPFY*VNVEF (PKF270-974)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	ENRAF-NONIUS FR591
Temperature [K]	293
Detector technology	IMAGE PLATE
Collection date	1996-09-19
Detector	MAC Science DIP-2020
Spacegroup name	P 41 21 2
Unit cell lengths	51.130, 51.130, 90.250
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 1.800
R-factor	0.187
Rwork	0.187
R-free	0.21800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1gri
RMSD bond length	0.007
RMSD bond angle	1.300
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	10.000	1.830
High resolution limit [Å]	1.800	1.800
Rmerge	0.074	0.199
Total number of observations	143688 *
Number of reflections	11579
<I/σ(I)>	11.5	2.6
Completeness [%]	99.9	99.8
Redundancy	8.7	8.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	6.5		PROTEIN (15MG/ML IN 100MM SODIUM CHLORIDE, 0.02% SODIUM AZIDE) WAS CRYSTALLIZED FROM 46% SATURATED AMMONIUM SULFATE, 100MM SODIUM MES PH 6.5, IN PRESENCE OF A 2-FOLD EXCESS OF LIGAND

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	15 (mg/ml)
2	1	drop		100 (mM)
3	1	drop		0.02 (%)
4	1	reservoir	HEPES	100 (mM)	pH6.5
5	1	reservoir	ammonium sulfate	46 (%sat)