1IH6
Multi-Conformation Crystal Structure of GGBr5CGCC
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.2 |
| Synchrotron site | ALS |
| Beamline | 5.0.2 |
| Temperature [K] | 105 |
| Detector technology | CCD |
| Collection date | 2000-04-18 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.92042, 0.92065, 0.90836 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 41.170, 41.170, 175.120 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 20.000 - 1.450 |
| R-factor | 0.138 * |
| Rwork | 0.138 |
| R-free | 0.18700 |
| Structure solution method | MAD |
| RMSD bond length | 0.015 |
| RMSD bond angle | 2.290 |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.500 |
| High resolution limit [Å] | 1.450 | 1.450 |
| Rmerge | 0.110 * | 0.668 * |
| Total number of observations | 628716 * | |
| Number of reflections | 58509 | |
| <I/σ(I)> | 22 | |
| Completeness [%] | 99.9 | 99.6 |
| Redundancy | 10.7 | 9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 298 | magnesium chloride, sodium cacodylate, spermine tetrahydrochloride, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | magnesium chloride | ||
| 2 | 1 | 1 | sodium cacodylate | ||
| 3 | 1 | 1 | spermine tetrahydrochloride |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | DNA | 0.7 (mM) | |
| 2 | 1 | drop | 25 (mM) | ||
| 3 | 1 | drop | 0.8 (mM) | ||
| 4 | 1 | drop | spermine tetrahydrochloride | 0.1-1.2 (mM) | |
| 5 | 1 | reservoir | MPD | 15 (%(v/v)) |
