2FMS
DNA Polymerase beta with a gapped DNA substrate and dUMPNPP with magnesium in the catalytic site
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 | 2002-01-01 |
| Wavelength(s) | 0.9997 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 50.800, 80.400, 55.500 |
| Unit cell angles | 90.00, 107.90, 90.00 |
Refinement procedure
| Resolution | 30.910 - 2.000 |
| R-factor | 0.196 |
| Rwork | 0.196 |
| R-free | 0.24400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1bpy |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.100 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.064 | 0.501 |
| Number of reflections | 28459 | |
| <I/σ(I)> | 2 | |
| Completeness [%] | 99.7 | 99.7 |
| Redundancy | 4.2 | 4.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 291 | 50 mM Imidazole, pH 8.0, 350 mM Sodium Acetate, 16 % PEG 3350 , VAPOR DIFFUSION, SITTING DROP, temperature 291K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | Imidazole | ||
| 2 | 1 | 1 | Sodium Acetate | ||
| 3 | 1 | 1 | PEG 3350 | ||
| 4 | 1 | 1 | H2O | ||
| 5 | 1 | 2 | Sodium Acetate | ||
| 6 | 1 | 2 | PEG 3350 | ||
| 7 | 1 | 2 | H2O |
