3TPW
CRYSTAL STRUCTURE OF M-PMV DUTPASE - DUPNPP complex revealing distorted ligand geometry (approach intermediate)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X13 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X13 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-01-26 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.8034 |
| Spacegroup name | P 63 |
| Unit cell lengths | 60.619, 60.619, 63.731 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 20.000 - 1.650 |
| R-factor | 0.1683 |
| Rwork | 0.167 |
| R-free | 0.19450 |
| Structure solution method | rigid body refinement |
| Starting model (for MR) | 2d4l |
| RMSD bond length | 0.018 |
| RMSD bond angle | 2.196 |
| 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] | 20.000 | 1.730 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Number of reflections | 15827 | |
| <I/σ(I)> | 21 | 4.3 |
| Completeness [%] | 98.4 | 99.2 |
| Redundancy | 2.9 | 2.5 |
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 |
