2J4Q
Crystal structure of a E138A Escherichia coli dCTP deaminase mutant enzyme in complex with dTTP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | MAX II BEAMLINE I911-2 |
| Synchrotron site | MAX II |
| Beamline | I911-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2003-12-11 |
| Detector | MARRESEARCH |
| Spacegroup name | P 63 2 2 |
| Unit cell lengths | 61.594, 61.594, 344.766 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 30.000 - 2.600 |
| R-factor | 0.25 |
| Rwork | 0.247 |
| R-free | 0.30200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1xs1 |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.716 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.2.0001) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.740 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.140 | 0.520 |
| Number of reflections | 12085 | |
| <I/σ(I)> | 21.9 | 2.6 |
| Completeness [%] | 92.7 | 70 |
| Redundancy | 12.2 | 5.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6.8 | VAPOUR DIFFUSION, 34% PEG400, 0.2M MAGNESIUM CHLORIDE, 0.1M HEPES PH6.8, 5MM DCTP |
