3HPO
Crystal structure of fragment DNA polymerase I from Bacillus stearothermophilus Y714S mutant bound to G:T mismatch
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) | 1.00000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 90.210, 93.730, 105.510 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.980 - 1.750 |
| R-factor | 0.203 |
| Rwork | 0.201 |
| R-free | 0.24100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1l3u |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.170 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.980 | 1.850 |
| High resolution limit [Å] | 1.740 | 1.740 |
| Rmerge | 0.084 | 0.409 |
| Number of reflections | 83554 | 11929 |
| <I/σ(I)> | 10.66 | 2.9 |
| Completeness [%] | 90.6 | 77.9 |
| Redundancy | 5 | 4.5 |
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 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 |
