1R9W
Crystal Structure of the DNA-binding domain of the human papillomavirus type 18 (HPV-18) replication initiation protein E1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X26C |
| Synchrotron site | NSLS |
| Beamline | X26C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.1 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 70.540, 46.240, 43.190 |
| Unit cell angles | 90.00, 94.01, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.800 |
| Rwork | 0.213 |
| R-free | 0.22200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1F08 with non-identical residues mutated to alanines and no solvent |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.500 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.910 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.049 | 0.135 |
| Total number of observations | 45127 * | |
| Number of reflections | 12094 | 1412 * |
| <I/σ(I)> | 17.5 | 5.7 |
| Completeness [%] | 93.0 * | 69.1 |
| Redundancy | 3.41 | 2.25 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 * | 17 * | PEG 4000, ammonium acetate, sodium citrate, DTT, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 290.0K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 5 (mg/ml) | |
| 2 | 1 | drop | HEPES | 20 (mM) | pH7.5 |
| 3 | 1 | drop | 100 (mM) | ||
| 4 | 1 | drop | dithiothreitol | 10 (mM) | |
| 5 | 1 | reservoir | PEG4000 | 28-30 (%) | |
| 6 | 1 | reservoir | ammonium acetate | 100 (mM) | |
| 7 | 1 | reservoir | sodium citrate | 100 (mM) | pH5.0-5.6 |
| 8 | 1 | reservoir | dithiothreitol | 50-100 (mM) |
