3D9Y

Crystal Structure of Profilin from Schizosaccharomyces pombe

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU 200
Temperature [K]	273
Detector technology	IMAGE PLATE
Collection date	2006-10-02
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.54178
Spacegroup name	P 1 21 1
Unit cell lengths	36.533, 84.021, 40.420
Unit cell angles	90.00, 93.73, 90.00

Refinement procedure

Resolution	42.000 - 1.650
R-factor	0.177
Rwork	0.175
R-free	0.20600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2acg
RMSD bond length	0.009
RMSD bond angle	1.255
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.810
High resolution limit [Å]	1.650	1.650
Rmerge	0.039	0.256
Number of reflections	24741
<I/σ(I)>	19.3	2.23
Completeness [%]	92.0	73.3
Redundancy	2.8	1.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	277	1.3 M Na Malonate; 0.2 M Hepes pH 7.0; 0.5% JeffamineED2001 [O O'-BIS (2-aminopropyl) polyethylene glycol 1900] from Hampton Research], VAPOR DIFFUSION, HANGING DROP, temperature 277K
1	VAPOR DIFFUSION, HANGING DROP	7	277	1.3 M Na Malonate; 0.2 M Hepes pH 7.0; 0.5% JeffamineED2001 [O O'-BIS (2-aminopropyl) polyethylene glycol 1900] from Hampton Research], VAPOR DIFFUSION, HANGING DROP, temperature 277K