1OEB

Mona/Gads SH3C domain

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM14
Synchrotron site	ESRF
Beamline	BM14
Temperature [K]	100
Detector technology	CCD
Collection date	2002-11-15
Detector	MARRESEARCH
Spacegroup name	P 1 21 1
Unit cell lengths	28.691, 72.072, 34.168
Unit cell angles	90.00, 97.70, 90.00

Refinement procedure

Resolution	36.040 * - 1.700 *
R-factor	0.174
Rwork	0.171
R-free	0.21940 *
Structure solution method	MAD
RMSD bond length	0.012 *
RMSD bond angle	1.375 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	REFMAC (5.1.24)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	36.000	1.750
High resolution limit [Å]	1.690	1.690
Rmerge	0.055	0.404
Total number of observations	99470 *
Number of reflections	15317
<I/σ(I)>	28.2	4
Completeness [%]	98.2 *	81.4
Redundancy	6.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, sitting drop *	6.5	20 *	PROTEIN WAS CRYSTALLISED FROM: 20% PEG4000, 5 MM CDCL2,50 MM NA CACODYLATE PH 6.5

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG4000	20 (%)
2	1	reservoir		5 (mM)
3	1	reservoir	sodium cacodylate	50 (mM)	pH6.5
4	1	drop	protein	10 (mg/ml)