3LJM
Structure of de novo designed apo peptide coil SER L9C
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-F |
| Synchrotron site | APS |
| Beamline | 21-ID-F |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-03-15 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97872 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 77.940, 29.856, 44.361 |
| Unit cell angles | 90.00, 119.15, 90.00 |
Refinement procedure
| Resolution | 34.030 - 1.360 |
| R-factor | 0.18416 |
| Rwork | 0.182 |
| R-free | 0.21510 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3h5f |
| RMSD bond length | 0.024 |
| RMSD bond angle | 2.364 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.400 |
| High resolution limit [Å] | 1.360 | 1.360 |
| Rmerge | 0.069 | 0.350 |
| Number of reflections | 19279 | |
| <I/σ(I)> | 20 | 5 |
| Completeness [%] | 99.4 | 100 |
| Redundancy | 6.7 | 6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 293 | 24% PEG 3350, 0.017M zinc acetate, 0.1M calcium acetate, 0.1M cacodylate, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
