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 (%) |