3HP6
Crystal structure of fragment DNA polymerase I from Bacillus stearothermophilus F710Y mutant bound to G:T mismatch
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-04-04 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 93.170, 108.710, 152.210 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 42.840 - 1.810 |
| R-factor | 0.21295 |
| Rwork | 0.211 |
| R-free | 0.24723 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2hvi |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.455 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | AMoRE |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.840 | 1.860 |
| High resolution limit [Å] | 1.810 | 1.810 |
| Rmerge | 0.058 | 0.592 |
| Number of reflections | 139378 | |
| <I/σ(I)> | 2.61 | |
| Completeness [%] | 98.9 | 98.1 |
| Redundancy | 5 | 5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.8 | 290 | 50% Saturated ammonium sulfate, 0.1M MES, 2.5% v/v MPD, 10mM Magnesium sulfate, pH 5.8, VAPOR DIFFUSION, HANGING DROP, temperature 290K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | ammonium sulfate | ||
| 2 | 1 | 1 | MES | ||
| 3 | 1 | 1 | MPD | ||
| 4 | 1 | 1 | Magnesium sulfate | ||
| 5 | 1 | 2 | ammonium sulfate | ||
| 6 | 1 | 2 | MES | ||
| 7 | 1 | 2 | MPD | ||
| 8 | 1 | 2 | Magnesium sulfate |
