1NK9
A BACILLUS DNA POLYMERASE I PRODUCT COMPLEX BOUND TO A GUANINE-THYMINE MISMATCH AFTER TWO ROUNDS OF PRIMER EXTENSION, FOLLOWING INCORPORATION OF DCTP AND DGTP.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 1998-12-30 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 87.389, 93.419, 105.697 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 * - 1.900 |
| R-factor | 0.222 |
| Rwork | 0.204 |
| R-free | 0.23700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2bdp |
| RMSD bond length | 0.005 |
| RMSD bond angle | 22.400 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 * | 1.970 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.047 * | 0.217 * |
| Total number of observations | 283443 * | |
| Number of reflections | 60333 | |
| <I/σ(I)> | 28.7 | 3.5 |
| Completeness [%] | 87.1 | 44.4 |
| Redundancy | 4.7 | 2.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.8 | 290 | Johnson, S.J., (2003) Proc.Natl.Acad.Sci.USA, 100, 3895. * |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | AMMONIUM SULFATE | ||
| 2 | 1 | 1 | MAGNESIUM SULFATE | ||
| 3 | 1 | 1 | MPD | ||
| 4 | 1 | 1 | MES | ||
| 5 | 1 | 1 | water | ||
| 6 | 1 | 2 | AMMONIUM SULFATE | ||
| 7 | 1 | 2 | MAGNESIUM SULFATE | ||
| 8 | 1 | MPD |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 12 (mg/ml) | |
| 2 | 1 | reservoir | ammonium sulfate | 49 (%sat) | |
| 3 | 1 | reservoir | 2.5 (%(v/v)) | ||
| 4 | 1 | reservoir | 100 (mM) | pH5.8 | |
| 5 | 1 | reservoir | 10 (mM) |
