2A8F
beta-cinnamomin after sterol removal
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-1 |
Synchrotron site | ESRF |
Beamline | ID14-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2003-06-15 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.933 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 58.048, 58.048, 106.656 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.990 - 1.350 |
R-factor | 0.141 |
Rwork | 0.138 |
R-free | 0.19200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ljp |
RMSD bond length | 0.014 |
RMSD bond angle | 0.028 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | SHELXL-97 |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.990 | 1.380 |
High resolution limit [Å] | 1.350 | 1.350 |
Rmerge | 0.065 | 0.370 |
Number of reflections | 39554 | |
<I/σ(I)> | 19 | 2.9 |
Completeness [%] | 97.1 | 91.2 |
Redundancy | 4.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | PEG 4000, Hepes buffer, MPD, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |