1BYZ
DESIGNED PEPTIDE ALPHA-1, P1 FORM
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X12C |
| Synchrotron site | NSLS |
| Beamline | X12C |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 1994-11-15 |
| Detector | MARRESEARCH |
| Spacegroup name | P 1 |
| Unit cell lengths | 20.846, 20.909, 27.057 |
| Unit cell angles | 102.40, 95.33, 119.62 |
Refinement procedure
| Resolution | 25.700 - 0.900 |
| R-factor | 0.086 * |
| R-free | 0.10500 |
| Structure solution method | DIRECT METHODS |
| Starting model (for MR) | 448 RANDOM ATOMS |
| RMSD bond length | 0.025 |
| RMSD bond angle | 1.900 * |
| Data reduction software | DENZO ((DENZO)) |
| Data scaling software | SCALEPACK ((DENZO)) |
| Phasing software | SnB ((SNB 1.5) MILLER) |
| Refinement software | SHELXL |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.700 | 0.930 |
| High resolution limit [Å] | 0.900 | 0.900 |
| Rmerge | 0.076 * | 0.141 * |
| Number of reflections | 23681 | 1011 * |
| <I/σ(I)> | 16.3 | 4.3 |
| Completeness [%] | 85.9 | 36 |
| Redundancy | 3.3 | 1.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | drop consists of equal volume of peptide and reservoir solutions * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | peptide | 20 (mg/ml) | |
| 2 | 1 | reservoir | triethanolamine-HCl | 78 (mM) | |
| 3 | 1 | reservoir | ethanolamine-HCl | 52 (mM) | |
| 4 | 1 | reservoir | MPD | 91 (%) |
