3TRN
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 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 | 60.566, 60.566, 63.524 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 20.000 - 1.830 |
R-factor | 0.15878 |
Rwork | 0.157 |
R-free | 0.18213 |
Structure solution method | RIGID BODY REFINEMENT |
Starting model (for MR) | 2d4l |
RMSD bond length | 0.018 |
RMSD bond angle | 1.807 |
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 | 1.930 |
High resolution limit [Å] | 1.830 | 1.830 |
Number of reflections | 11635 | |
<I/σ(I)> | 21.5 | 5.1 |
Completeness [%] | 99.1 | 99.2 |
Redundancy | 3.4 | 3.3 |
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 |