3TRL
Crystal structure of M-PMV dUTPASE post-inversion product (dUMP) complex
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 | 2004-11-13 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.8128 |
| Spacegroup name | P 63 |
| Unit cell lengths | 60.827, 60.827, 63.999 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 20.000 - 1.800 |
| R-factor | 0.16255 |
| Rwork | 0.161 |
| R-free | 0.18794 |
| Structure solution method | rigid body refinement |
| Starting model (for MR) | 2d4l |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.825 |
| 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 | 1.900 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Number of reflections | 12312 | |
| <I/σ(I)> | 12.2 | 3.1 |
| Completeness [%] | 98.2 | 100 |
| Redundancy | 3.2 | 3.1 |
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 |
