1KFM
Core side-chain packing and backbone conformation in Lpp-56 coiled-coil mutants
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X25 |
| Synchrotron site | NSLS |
| Beamline | X25 |
| Temperature [K] | 95 |
| Detector technology | CCD |
| Collection date | 2001-10-12 |
| Detector | BRANDEIS - B4 |
| Wavelength(s) | 1.1000 |
| Spacegroup name | H 3 |
| Unit cell lengths | 37.057, 37.057, 81.912 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 50.000 * - 2.000 |
| R-factor | 0.26 |
| Rwork | 0.260 |
| R-free | 0.28800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1eq7 |
| RMSD bond length | 0.004 |
| RMSD bond angle | 16.100 * |
| Data reduction software | MADNESS |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.042 | 0.097 |
| Total number of observations | 20868 * | |
| Number of reflections | 2761 | |
| <I/σ(I)> | 17.5 | 12.3 |
| Completeness [%] | 97.8 | 97 |
| Redundancy | 3.8 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 * | 293 | PEG 4000, sodium cacodylate, ammonium acetate, pH 6.8, VAPOR DIFFUSION, HANGING DROP at 293K, VAPOR DIFFUSION, HANGING DROP |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 8 (mg/ml) | |
| 2 | 1 | drop | sodium cacodylate | 0.1 (M) | pH7.0 |
| 3 | 1 | drop | ammonium acetate | 0.2 (M) | |
| 4 | 1 | drop | PEG4000 | 33 (%) |
