3TS6
Crystal structure of M-PMV DUTPASE relaxed end-product (dUMP) complex
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 | 2004-11-26 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.8031 |
| Spacegroup name | P 63 |
| Unit cell lengths | 60.682, 60.682, 63.544 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 20.000 - 1.840 |
| R-factor | 0.16885 |
| Rwork | 0.167 |
| R-free | 0.20113 |
| Structure solution method | RIGID BODY REFINEMENT |
| Starting model (for MR) | 2d4l |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.994 |
| 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] | 52.560 | 1.940 |
| High resolution limit [Å] | 1.840 | 1.840 |
| Number of reflections | 11408 | |
| <I/σ(I)> | 17.1 | 3.7 |
| Completeness [%] | 98.3 | 99.5 |
| Redundancy | 2.9 | 2.8 |
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 |
