1UNO
Crystal structure of a d,l-alternating peptide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X13 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X13 |
| Temperature [K] | 100 |
| Collection date | 2003-01-15 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 27.990, 27.990, 78.930 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.400 |
| R-factor | 0.2216 |
| R-free | 0.24930 |
| Structure solution method | SIRAS |
| RMSD bond length | 0.011 |
| RMSD bond angle | 0.028 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SHELXD |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.500 |
| High resolution limit [Å] | 1.300 | 1.400 |
| Rmerge | 0.034 | 0.308 |
| Number of reflections | 8289 | |
| <I/σ(I)> | 11.82 | 2.42 |
| Completeness [%] | 91.2 | 93 |
| Redundancy | 1.42 | 1.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | (NH4)2SO4,MPD,HEPES, PH 7.5,HANGING DROP |
