3GF0
Bifunctional dCTP deaminase-dUTPase mutant enzyme variant E145Q from Methanocaldococcus jannaschii in complex with pyrophosphate and magnesium
Replaces: 2HXEExperimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-07-23 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 1.0723 |
| Spacegroup name | I 4 3 2 |
| Unit cell lengths | 171.569, 171.569, 171.569 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 24.260 - 2.620 |
| R-factor | 0.19235 |
| Rwork | 0.191 |
| R-free | 0.22922 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 2hxb |
| RMSD bond length | 0.023 |
| RMSD bond angle | 1.976 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Refinement software | REFMAC (5.5.0070) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 2.690 |
| High resolution limit [Å] | 2.620 | 2.620 |
| Number of reflections | 14787 | |
| <I/σ(I)> | 26.8 | 5.4 |
| Completeness [%] | 100.0 | 100 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.3 | 298 | 20% PEG3350, 0.2M TRIPOTASSIUM CITRATE , pH 8.30, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
