4DSK
Crystal structure of fragment DNA polymerase I from Bacillus stearothermophilus with duplex DNA, PPi and Calcium
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 | 2011-06-27 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 86.692, 93.339, 106.363 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 70.160 - 2.180 |
| R-factor | 0.1909 |
| Rwork | 0.185 |
| R-free | 0.24275 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ht3 |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.758 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASES |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 70.160 | 2.260 |
| High resolution limit [Å] | 2.180 | 2.180 |
| Number of reflections | 44295 | |
| <I/σ(I)> | 19.8 | 2.2 |
| Completeness [%] | 96.9 | 78.5 |
| Redundancy | 5.6 | 2.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 0.2 M calcium acetate, 0.1 M sodium cacodylate (pH 6.5), 18% v/v PEG8000, VAPOR DIFFUSION, SITTING DROP |
