3NUL

Profilin I from Arabidopsis thaliana

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X12C
Synchrotron site	NSLS
Beamline	X12C
Temperature [K]	100
Detector technology	IMAGE PLATE AREA DETECTOR
Collection date	1996-03-15
Detector	MARRESEARCH
Wavelength(s)	0.95, 1.1
Spacegroup name	P 21 21 21
Unit cell lengths	42.040, 43.070, 59.450
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.000 - 1.600
R-factor	0.1808
Rwork	0.181
R-free	0.20490 *
Structure solution method	MAD
RMSD bond length	0.009
RMSD bond angle	24.115 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR (3.0)
Refinement software	X-PLOR (3.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.660
High resolution limit [Å]	1.600	1.600
Rmerge	0.074	0.223
Total number of observations	146788 *
Number of reflections	32355
<I/σ(I)>	18.2	5.3
Completeness [%]	96.0	78.8
Redundancy	4.5	2.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	5		2.0 M AMMONIUM SULFATE, 0.1 M CITRATE, PH 5.0, 10 mM DTT, 0.2 mM EDTA

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	ammonium sulfate	2.0 (M)
2	1	reservoir	citrate	0.1 (M)
3	1	reservoir	DTT	10 (mM)
4	1	reservoir	EDTA	0.2 (mM)