2FMQ
Sodium in active site of DNA Polymerase Beta
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH3R |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2005-01-13 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 50.800, 80.200, 55.300 |
| Unit cell angles | 90.00, 107.50, 90.00 |
Refinement procedure
| Resolution | 48.450 - 2.200 |
| R-factor | 0.19 |
| Rwork | 0.190 |
| R-free | 0.24200 |
| 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 | 2.280 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.072 | |
| Number of reflections | 20569 | |
| <I/σ(I)> | 3.8 | |
| Completeness [%] | 95.3 | 97.2 |
| Redundancy | 5.7 | 5.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 291 | 50 mM Imidazole, pH 7.5, 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 |
