1P51
Anabaena HU-DNA cocrystal structure (AHU6)
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] | 100 |
| Detector technology | CCD |
| Collection date | 2002-03-29 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.9 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 37.646, 107.836, 83.464 |
| Unit cell angles | 90.00, 92.25, 90.00 |
Refinement procedure
| Resolution | 25.000 - 2.500 |
| R-factor | 0.291 |
| Rwork | 0.286 |
| R-free | 0.33800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1P71 with nonidentical sidechains pruned back to a common atom |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.927 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | EPMR |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 99.000 | 2.570 |
| High resolution limit [Å] | 2.480 | 2.480 |
| Rmerge | 0.110 * | 0.359 |
| Number of reflections | 23324 | |
| Completeness [%] | 93.3 | 46.5 |
| Redundancy | 3 | 2.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 * | 292 | Peg 5000 monomethyl ether, glycerol, tris, jeffamine, potassium chloride, calcium chloride, sodium azide, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 292K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | Peg 5000 | ||
| 10 | 1 | 2 | Peg 5000 | ||
| 11 | 1 | 2 | glycerol | ||
| 12 | 1 | 2 | potassium chloride | ||
| 13 | 1 | 2 | calcium chloride | ||
| 14 | 1 | 2 | sodium azide | ||
| 15 | 1 | 2 | H2O | ||
| 2 | 1 | 1 | monomethyl ether | ||
| 3 | 1 | 1 | glycerol | ||
| 4 | 1 | 1 | tris | ||
| 5 | 1 | 1 | jeffamine | ||
| 6 | 1 | 1 | potassium chloride | ||
| 7 | 1 | 1 | calcium chloride | ||
| 8 | 1 | 1 | sodium azide | ||
| 9 | 1 | 1 | H2O |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | 50 (mM) | ||
| 2 | 1 | reservoir | glycerol | 10 (%) | |
| 3 | 1 | reservoir | Tris | 50 (mM) | pH7.5 or pH8.0 |
| 4 | 1 | reservoir | 0.02 (%) | ||
| 5 | 1 | reservoir | Jaffamine | 1 (%) | pH7.0 |
| 6 | 1 | reservoir | PEG5000 MME | 12-22.5 (%) | |
| 7 | 1 | reservoir | 10 (mM) |
