2D4N
Crystal Structure of M-PMV dUTPase complexed with dUPNPP, substrate analogue
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 | 2004-11-26 |
Detector | MARRESEARCH |
Wavelength(s) | 0.8128 |
Spacegroup name | P 63 |
Unit cell lengths | 61.071, 61.071, 64.357 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 20.000 - 1.530 |
R-factor | 0.16566 |
Rwork | 0.164 |
R-free | 0.18717 |
Structure solution method | rigid body refinement |
Starting model (for MR) | 2d4l |
RMSD bond length | 0.019 |
RMSD bond angle | 1.911 |
Data scaling software | XDS |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 52.930 | 1.610 |
High resolution limit [Å] | 1.520 | 1.520 |
Rmerge | 0.076 | 0.442 |
Number of reflections | 20787 | |
<I/σ(I)> | 12.34 | 2.86 |
Completeness [%] | 98.7 | 98.23 |
Redundancy | 2.66 | 2.13 |
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 293.0K |