3HT3
Crystal structure of fragment DNA polymerase I from Bacillus stearothermophilus V713P mutant bound to G:dCTP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-BM |
| Synchrotron site | APS |
| Beamline | 22-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-08-01 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97121 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 93.280, 108.790, 152.090 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.980 - 1.700 |
| R-factor | 0.2114 |
| Rwork | 0.210 |
| R-free | 0.24686 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2hvi |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.325 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | REFMAC (5.5.0070) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.980 | 1.740 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.060 | 0.561 |
| Number of reflections | 169685 | |
| <I/σ(I)> | 14.38 | 2.5 |
| Completeness [%] | 99.8 | 99.8 |
| Redundancy | 3.9 | 3.9 |
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 Methylpentanediol, 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 | Methylpentanediol | ||
| 4 | 1 | 1 | Magnesium sulfate | ||
| 5 | 1 | 2 | ammonium sulfate | ||
| 6 | 1 | 2 | MES | ||
| 7 | 1 | 2 | Methylpentanediol | ||
| 8 | 1 | 2 | Magnesium sulfate |
