3TQ3
Crystal structure of M-PMV dUTPase with a mixed population of substrate (dUPNPP) and post-inversion product (dUMP) in the active sites
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 | 2003-11-14 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 0.8124 |
Spacegroup name | P 63 |
Unit cell lengths | 60.594, 60.594, 64.146 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 20.000 - 1.850 |
R-factor | 0.1546 |
Rwork | 0.154 |
R-free | 0.16880 |
Structure solution method | rigid body refinement |
Starting model (for MR) | 2d4l |
RMSD bond length | 0.019 |
RMSD bond angle | 1.812 |
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] | 52.490 | 1.960 |
High resolution limit [Å] | 1.850 | 1.850 |
Number of reflections | 11478 | |
<I/σ(I)> | 20.2 | 5 |
Completeness [%] | 99.8 | 99.7 |
Redundancy | 11.2 | 11.2 |
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 |