1XC9
Structure of a high-fidelity polymerase bound to a benzo[a]pyrene adduct that blocks replication
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X12B |
| Synchrotron site | NSLS |
| Beamline | X12B |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2001-03-05 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 88.752, 93.733, 104.512 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 42.760 - 1.900 |
| R-factor | 0.2211 |
| Rwork | 0.221 |
| R-free | 0.25500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB ID 1LV5 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.100 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 42.760 |
| High resolution limit [Å] | 1.850 |
| Rmerge | 0.042 |
| Number of reflections | 71966 |
| <I/σ(I)> | 20.5 |
| Completeness [%] | 96.8 |
| Redundancy | 23.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.8 | 290 | Ammonium Sulfate, Magnesium Sulfate, MPD, MES, pH 5.8, VAPOR DIFFUSION, HANGING DROP, temperature 290K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | (NH4)2SO4 | ||
| 2 | 1 | 1 | MGSO4 | ||
| 3 | 1 | 1 | MPD | ||
| 4 | 1 | 1 | MES | ||
| 5 | 1 | 2 | (NH4)2SO4 | ||
| 6 | 1 | 2 | MGSO4 | ||
| 7 | 1 | 2 | MPD |
