1D1J

CRYSTAL STRUCTURE OF HUMAN PROFILIN II

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X9B
Synchrotron site	NSLS
Beamline	X9B
Temperature [K]	100
Detector technology	CCD
Collection date	1999-04-21
Detector	ADSC QUANTUM 4
Spacegroup name	P 1 21 1
Unit cell lengths	71.140, 44.800, 89.600
Unit cell angles	90.00, 98.59, 90.00

Refinement procedure

Resolution	20.000 - 2.200
R-factor	0.22
Rwork	0.216
R-free	0.26780 *
RMSD bond length	0.007
RMSD bond angle	1.340
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000 *	2.280
High resolution limit [Å]	2.200	2.200
Rmerge	0.089	0.185
Total number of observations	430124 *
Number of reflections	28050
<I/σ(I)>	10.3
Completeness [%]	96.9 *	85.3 *
Redundancy	2.7	2.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.3	4 *	MAGNESIUM SULFATE, PEG400, pH 7.3, VAPOR DIFFUSION, HANGING DROP, temperature 277K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir		1.35 (M)
2	1	reservoir	PEG400	1.5 (%(v/v))
3	1	reservoir	HEPES	100 (mM)