1KGK
Direct Observation of a Cytosine Analog that Forms Five Hydrogen Bonds to Guanosine; Guanyl G-Clamp
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 5ID-B |
| Synchrotron site | APS |
| Beamline | 5ID-B |
| Temperature [K] | 120 |
| Detector technology | CCD |
| Collection date | 2000-04-29 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.978 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 24.520, 43.020, 46.680 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 10.000 - 1.000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.015 |
| RMSD bond angle | 0.021 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 * | 1.100 |
| High resolution limit [Å] | 1.000 | 1.000 |
| Rmerge | 0.047 | |
| Number of reflections | 27320 | |
| Completeness [%] | 99.6 | 99.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 6 | 298 | 1.2 mM DNA, 5% MPD, 20 mM Sodium Cacodylate, 40 mM sodium chloride, 6 mM potassium chloride, 10 mM magnesium chloride; equilibrated against 35% MPD, pH 6.0, Hanging Drop, temperature 298K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | MPD | ||
| 10 | 1 | 2 | MPD | ||
| 11 | 1 | 2 | Sodium Cacodylate | ||
| 2 | 1 | 1 | Sodium Cacodylate | ||
| 3 | 1 | 1 | NaCl | ||
| 4 | 1 | 1 | KCl | ||
| 5 | 1 | 1 | MgCl2 | ||
| 6 | 1 | 1 | MPD | ||
| 7 | 1 | 2 | NaCl | ||
| 8 | 1 | 2 | KCl | ||
| 9 | 1 | 2 | MgCl2 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | DNA | 1.2 (mM) | |
| 2 | 1 | drop | MPD | 5 (%) | |
| 3 | 1 | drop | sodium cacodylate | 20 (mM) | pH6.0 |
| 4 | 1 | drop | spermine 4HCl | 6 (mM) | |
| 5 | 1 | drop | 40 (mM) | ||
| 6 | 1 | drop | 6 (mM) | ||
| 7 | 1 | drop | 10 (mM) | ||
| 8 | 1 | reservoir | MPD | 35 (%(v/v)) |
