2NVH

Determination of Solvent Content in Cavities in Interleukin-1 Using Experimentally-Phased Electron Density

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	1999-07-10
Detector	ADSC QUANTUM 4
Spacegroup name	P 43
Unit cell lengths	54.506, 54.506, 75.359
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.200 - 1.530
R-factor	0.211
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5i1b
RMSD bond length	0.025
RMSD bond angle	2.946
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHARP
Refinement software	TNT

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	27.200	1.550
High resolution limit [Å]	1.500	1.500
Rmerge	0.040	0.298
Number of reflections	35259
<I/σ(I)>	64	8.1
Completeness [%]	99.9	100
Redundancy	9.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7.5	298	Well solution of 2.2 - 2.8 M ammonium sulfate, 100 mM Tris, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K, pH 7.50
1		7.5	298	Well solution of 2.2 - 2.8 M ammonium sulfate, 100 mM Tris, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K, pH 7.50
1		7.5	298	Well solution of 2.2 - 2.8 M ammonium sulfate, 100 mM Tris, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K, pH 7.50
1		7.5	298	Well solution of 2.2 - 2.8 M ammonium sulfate, 100 mM Tris, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K, pH 7.50