3TQ4
Crystal structure of M-PMV dUTPase with a mixed population of substrate (dUPNPP) and post-inversion product (dUMP) in the active sites
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X11 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X11 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-12-04 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.8028, 1.0720 |
| Spacegroup name | P 63 |
| Unit cell lengths | 60.564, 60.564, 64.018 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 20.000 - 1.600 |
| R-factor | 0.1732 |
| Rwork | 0.172 |
| R-free | 0.19100 |
| Structure solution method | rigid body refinement |
| Starting model (for MR) | 2d4l |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.952 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | REFMAC (5.2.0005) |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 52.410 | 1.690 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Number of reflections | 17234 | |
| <I/σ(I)> | 13.3 | 2.9 |
| Completeness [%] | 97.6 | 97 |
| Redundancy | 3.8 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | PEG 8000, AMMONIUM CHLORIDE, TRIS, PH 8.5, vapor diffusion, hanging drop, temperature 293K |
