2HXD
Bifunctional dCTP deaminase-dUTPase mutant enzyme variant E145A from Methanocaldococcus jannaschii in complex with alpha,beta-imido dUTP and magnesium
Experimental 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 | MARRESEARCH |
| Wavelength(s) | 1.072300 |
| Spacegroup name | I 4 3 2 |
| Unit cell lengths | 171.513, 171.513, 171.513 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 24.750 - 2.300 |
| Rwork | 0.178 |
| R-free | 0.22100 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 2hxb |
| RMSD bond length | 0.022 |
| RMSD bond angle | 1.844 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 2.420 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.089 | 0.432 |
| Number of reflections | 18566 | |
| <I/σ(I)> | 14.4 | 3 |
| Completeness [%] | 100.0 | 98.9 |
| Redundancy | 4.36 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 9.2 | 298 | 20 % PEG3350, 0.2M di-potassium hydrogen phosphate, pH 9.2, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
