3TPN
Crystal structure of M-PMV dUTPASE complexed with dUPNPP, substrate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE BW7B |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | BW7B |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2005-02-01 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 0.8430 |
| Spacegroup name | P 63 |
| Unit cell lengths | 60.333, 60.333, 64.519 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 18.880 - 1.650 |
| R-factor | 0.159 |
| Rwork | 0.157 |
| R-free | 0.18200 |
| Structure solution method | rigid body refinement |
| Starting model (for MR) | 2d4l |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.984 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | REFMAC (5.2.0005) |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.750 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Number of reflections | 15802 | |
| <I/σ(I)> | 15.4 | 2.1 |
| Completeness [%] | 97.9 | 98.3 |
| Redundancy | 2.3 | 2.2 |
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 |
