1KFN
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 | 36.290, 36.290, 83.473 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 50.000 * - 1.650 |
| R-factor | 0.244 |
| Rwork | 0.244 |
| R-free | 0.27200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| 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 | 1.680 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Rmerge | 0.059 | 0.203 |
| Total number of observations | 33447 * | |
| Number of reflections | 4921 | |
| <I/σ(I)> | 11.7 | 6.5 |
| Completeness [%] | 99.7 | 97.9 |
| Redundancy | 3.7 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4 | 293 | PEG 4000, sodium acetate, ammonium acetate, L-cystein, pH 4.0, 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 | 10 (mg/ml) | |
| 2 | 1 | drop | sodium acetate | 0.1 (M) | pH4.0 |
| 3 | 1 | drop | ammonium acetate | 0.2 (M) | |
| 4 | 1 | drop | L-cysteine | 20 (mM) | |
| 5 | 1 | drop | PEG4000 | 27 (%(w/v)) |
