2J7I

ATYPICAL POLYPROLINE RECOGNITION BY THE CMS N-TERMINAL SH3 DOMAIN. CMS:CD2 HETERODIMER

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	ENRAF-NONIUS FR591
Temperature [K]	110
Detector technology	IMAGE PLATE
Collection date	2004-06-08
Detector	MARRESERACH
Spacegroup name	P 21 21 21
Unit cell lengths	36.319, 59.719, 70.867
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.800 - 2.900
R-factor	0.248
Rwork	0.248
R-free	0.29500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	CMSA-CBL-B STRUCTURE
RMSD bond length	0.009
RMSD bond angle	1.400
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	AMoRE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	36.290	3.100
High resolution limit [Å]	2.900	2.900
Rmerge	0.100	0.310
Number of reflections	3729
<I/σ(I)>	22	6.2
Completeness [%]	100.0	100
Redundancy	8	8.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		8		30% PEG8000, 0.2M NACL, 0.1M TRIS-HCL PH 8.0