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 |