1R2Z
MutM (Fpg) bound to 5,6-dihydrouracil (DHU) containing DNA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X25 |
| Synchrotron site | NSLS |
| Beamline | X25 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2003-06-30 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.1 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 44.591, 94.226, 102.180 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.630 |
| R-factor | 0.208 |
| Rwork | 0.208 |
| R-free | 0.23300 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1l1t |
| RMSD bond length | 0.005 |
| RMSD bond angle | 22.500 * |
| 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 | 1.690 |
| High resolution limit [Å] | 1.630 | 1.630 |
| Rmerge | 0.048 | 0.357 |
| Number of reflections | 53944 | |
| <I/σ(I)> | 31 | 4 |
| Completeness [%] | 98.9 | 93.9 |
| Redundancy | 5.3 | 4.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion * | 7.5 | 298 | Fromme, J.C., (2002) Nat.Struct.Biol., 9, 544. * |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | PEG 8000 | ||
| 2 | 1 | 1 | MAGNESIUM ACETATE | ||
| 3 | 1 | 1 | SODIUM CACODYLATE | ||
| 4 | 1 | 1 | H2O | ||
| 5 | 1 | 2 | PEG 8000 | ||
| 6 | 1 | 2 | MAGNESIUM ACETATE | ||
| 7 | 1 | 2 | SODIUM CACODYLATE | ||
| 8 | 1 | 2 | H2O |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | Tris | 10 (mM) | pH7.4 |
| 2 | 1 | drop | beta-mercaptoethanol | 5 (mM) | |
| 3 | 1 | drop | 50 (mM) | ||
| 4 | 1 | drop | protein | 8 (mg/ml) | |
| 5 | 1 | reservoir | PEG8000 | 13-18 (%(w/v)) | |
| 6 | 1 | reservoir | sodium cacodylate | 100 (mg/ml) | pH7.5 |
| 7 | 1 | reservoir | magnesium acetate | 50 (mM) | |
| 8 | 1 | reservoir | beta-mercaptoethanol | 0.1 (%) |
