3NIR

Crystal structure of small protein crambin at 0.48 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA II, DESY BEAMLINE PETRA1
Synchrotron site	PETRA II, DESY
Beamline	PETRA1
Temperature [K]	100
Detector technology	CCD
Collection date	2001-07-05
Detector	MAR CCD 165 mm
Wavelength(s)	0.5498
Spacegroup name	P 1 21 1
Unit cell lengths	22.329, 18.471, 40.769
Unit cell angles	90.00, 90.55, 90.00

Refinement procedure

Resolution	20.000 - 0.480
R-factor	0.127
Rwork	0.127
Structure solution method	ISOMORPHOUS TO PDB ENTRY 1EJG
Starting model (for MR)	1ejg
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	MOPRO

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	0.490
High resolution limit [Å]	0.480	0.480
Number of reflections	156860
<I/σ(I)>	9.7	1.5
Completeness [%]	97.0
Redundancy	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	60% ethanol in water, pH 7, VAPOR DIFFUSION, SITTING DROP, temperature 293K
2