1P47
Crystal Structure of tandem Zif268 molecules complexed to DNA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 14-BM-C |
| Synchrotron site | APS |
| Beamline | 14-BM-C |
| Temperature [K] | 120 |
| Detector technology | CCD |
| Collection date | 2002-01-01 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.9 |
| Spacegroup name | P 31 |
| Unit cell lengths | 70.629, 70.629, 99.608 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 60.900 * - 2.200 |
| R-factor | 0.2192 |
| Rwork | 0.214 |
| R-free | 0.26800 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1aay |
| RMSD bond length | 0.046 * |
| RMSD bond angle | 4.309 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.1.22) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 100.000 | 2.280 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.047 * | |
| Total number of observations | 113508 * | |
| Number of reflections | 25748 * | |
| <I/σ(I)> | 27.9 | |
| Completeness [%] | 90.4 | 43 |
| Redundancy | 4.4 | 2.12 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 298 | bis-tris propane-HCl, sodium chloride, zinc cloride, ammonium acetate, PEG 400, pH 8, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | bis-tris propane-HCl | ||
| 10 | 1 | 2 | sodium chloride | ||
| 2 | 1 | 1 | sodium chloride | ||
| 3 | 1 | 1 | zinc cloride | ||
| 4 | 1 | 1 | ammonium acetate | ||
| 5 | 1 | 1 | PEG 400 | ||
| 6 | 1 | 1 | H2O | ||
| 7 | 1 | 2 | PEG 400 | ||
| 8 | 1 | 2 | ammonium acetate | ||
| 9 | 1 | 2 | zinc cloride |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | BTP | 100 (mM) | pH8.0 |
| 2 | 1 | drop | 1.4 (mM) | ||
| 3 | 1 | reservoir | PEG400 | 4-15 (%(w/v)) | |
| 4 | 1 | reservoir | 0-200 (mM) | ||
| 5 | 1 | reservoir | BTP | 100 (mM) | pH7.0 |
| 6 | 1 | drop | DNA | 0.56 (mM) | |
| 7 | 1 | drop | BTP | 100 (mM) | pH8.0 |
| 8 | 1 | drop | 400 (mM) |
