3TPS
Crystal structure of M-PMV dUTPASE complexed with dUPNPP substrate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | EMBL/DESY, HAMBURG BEAMLINE BW7B |
Synchrotron site | EMBL/DESY, HAMBURG |
Beamline | BW7B |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2005-02-01 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 0.8430 |
Spacegroup name | P 63 |
Unit cell lengths | 60.708, 60.708, 64.363 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 20.000 - 1.850 |
R-factor | 0.1704 |
Rwork | 0.169 |
R-free | 0.19260 |
Structure solution method | rigid body refinement |
Starting model (for MR) | 2d4l |
RMSD bond length | 0.020 |
RMSD bond angle | 2.035 |
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 | 1.950 |
High resolution limit [Å] | 1.850 | 1.850 |
Number of reflections | 11407 | |
<I/σ(I)> | 9.6 | 2.1 |
Completeness [%] | 98.6 | 100 |
Redundancy | 2.3 | 2.3 |
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 |