4DSJ
Crystal structure of fragment DNA polymerase I from Bacillus stearothermophilus with duplex DNA, dGTP 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 | 60.016, 112.070, 229.450 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 114.730 - 2.860 |
| R-factor | 0.21758 |
| Rwork | 0.213 |
| R-free | 0.27710 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB 3ht3 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.549 |
| 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] | 114.730 | 3.000 |
| High resolution limit [Å] | 2.860 | 2.900 |
| Number of reflections | 32948 | |
| <I/σ(I)> | 15.8 | 2 |
| Completeness [%] | 91.3 | 89.8 |
| Redundancy | 5.8 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 0.1 M Tris-Bris (pH 6.5), 28% PEG2000, VAPOR DIFFUSION, SITTING DROP |
