1P25
Crystal structure of nickel(II)-d(GGCGCC)2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 14-BM-D |
| Synchrotron site | APS |
| Beamline | 14-BM-D |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Collection date | 2002-08-06 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.9000 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 68.990, 68.990, 56.180 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 15.000 - 2.900 |
| R-factor | 0.228 |
| Rwork | 0.223 |
| R-free | 0.27600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | NDB ENTRY BD0040 |
| RMSD bond length | 0.016 |
| RMSD bond angle | 4.000 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | X-PLOR |
| Refinement software | X-PLOR (3.851) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 26.000 | 3.000 |
| High resolution limit [Å] | 2.900 | 2.900 |
| Rmerge | 0.090 * | 0.600 * |
| Total number of observations | 180742 * | |
| Number of reflections | 3217 | |
| <I/σ(I)> | 22 | 1.8 |
| Completeness [%] | 96.9 | 80.6 |
| Redundancy | 8.9 | 4.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 4 * | DNA, TAPS-HCl, NiCl2, MPD, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | Taps-HCl | ||
| 2 | 1 | 1 | NiCl2 | ||
| 3 | 1 | 1 | MPD | ||
| 4 | 1 | 2 | MPD |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | hexamer | 2 (mM) | |
| 2 | 1 | drop | TAPS-HCl | 40 (mM) | pH8.0 |
| 3 | 1 | drop | 3.75 (mM) | ||
| 4 | 1 | drop | 10 (%) | ||
| 5 | 1 | reservoir | TAPS-HCl | 40 (mM) | pH8.0 |
| 6 | 1 | reservoir | 3.75 (mM) | ||
| 7 | 1 | reservoir | MPD | 35 (%) |
