3ARN
Human dUTPase in complex with novel uracil derivative
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL32B2 |
Synchrotron site | SPring-8 |
Beamline | BL32B2 |
Temperature [K] | 98 |
Detector technology | IMAGE PLATE |
Collection date | 2006-07-01 |
Detector | RIGAKU RAXIS V |
Wavelength(s) | 1 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 82.404, 83.147, 89.586 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 58.530 - 1.800 |
R-factor | 0.17194 |
Rwork | 0.171 |
R-free | 0.19794 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.032 |
RMSD bond angle | 2.443 |
Data reduction software | CrystalClear |
Data scaling software | CrystalClear |
Phasing software | AMoRE |
Refinement software | REFMAC (5.5.0072) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 60.000 | 1.860 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.040 | 0.119 |
Number of reflections | 57479 | |
<I/σ(I)> | 11.8 | |
Completeness [%] | 99.6 | 99.1 |
Redundancy | 6.97 | 6.37 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 15~20% PEG 4000, 50mM Tris, 0.1M magnesium chloride, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |