2D4N
Crystal Structure of M-PMV dUTPase complexed with dUPNPP, substrate analogue
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 | 2004-11-26 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.8128 |
| Spacegroup name | P 63 |
| Unit cell lengths | 61.071, 61.071, 64.357 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 20.000 - 1.530 |
| R-factor | 0.16566 |
| Rwork | 0.164 |
| R-free | 0.18717 |
| Structure solution method | rigid body refinement |
| Starting model (for MR) | 2d4l |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.911 |
| Data scaling software | XDS |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 52.930 | 1.610 |
| High resolution limit [Å] | 1.520 | 1.520 |
| Rmerge | 0.076 | 0.442 |
| Number of reflections | 20787 | |
| <I/σ(I)> | 12.34 | 2.86 |
| Completeness [%] | 98.7 | 98.23 |
| Redundancy | 2.66 | 2.13 |
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 293.0K |
