1I1P
REFINEMENT INCLUDING EXPERIMENTAL MAD PHASES ALLOWS AN EXHAUSTIVE STUDY OF ORDERED SOLVENT MOLECULES FOR A PLATINATED DECANUCLEOTIDE
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | LURE BEAMLINE DW21B |
| Synchrotron site | LURE |
| Beamline | DW21B |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 1997-11-01 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.0906,1.0718,1.0711,1.0301 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 42.890, 29.980, 46.570 |
| Unit cell angles | 90.00, 95.98, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.630 |
| Rwork | 0.159 |
| R-free | 0.18830 * |
| Structure solution method | MAD |
| RMSD bond length | 0.010 * |
| RMSD bond angle | 0.026 * |
| Data reduction software | MOSFLM |
| Data scaling software | CCP4 ((SCALA)) |
| Phasing software | SHARP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.720 |
| High resolution limit [Å] | 1.630 | 1.630 |
| Rmerge | 0.037 | 0.070 |
| Number of reflections | 7333 | |
| <I/σ(I)> | 14 | |
| Completeness [%] | 93.1 | 97 |
| Redundancy | 3.5 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion * | 6 * | 277 | sodium cacodylate, NaCl, KCl, spermine, MPD, pH 6.2, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | sodium cacodylate | ||
| 2 | 1 | 1 | NaCl | ||
| 3 | 1 | 1 | KCl | ||
| 4 | 1 | 1 | spermine | ||
| 5 | 1 | 1 | MPD | ||
| 6 | 1 | 2 | sodium cacodylate | ||
| 7 | 1 | 2 | NaCl | ||
| 8 | 1 | 2 | KCl | ||
| 9 | 1 | 2 | MPD |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | DNA molecule | 0.0825 (mM) | |
| 2 | 1 | drop | sodium cacodylate | 20 (mM) | pH6.0 |
| 3 | 1 | drop | 5 (mM) | ||
| 4 | 1 | drop | 30 (mM) | ||
| 5 | 1 | drop | spermine | 2.5 (mM) | |
| 6 | 1 | drop | MPD | 2 (%(v/v)) | |
| 7 | 1 | reservoir | MPD | 2.5 (%) |
