6LJJ
Swine dUTPase in complex with alpha,beta-iminodUTP and magnesium ion
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U1 |
Synchrotron site | SSRF |
Beamline | BL17U1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2019-11-24 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.97918 |
Spacegroup name | F 41 3 2 |
Unit cell lengths | 162.386, 162.386, 162.386 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 27.460 - 1.890 |
R-factor | 0.1983 |
Rwork | 0.197 |
R-free | 0.23100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6LIW |
RMSD bond length | 0.011 |
RMSD bond angle | 1.661 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.010 | 1.910 |
High resolution limit [Å] | 1.885 | 1.885 |
Rmerge | 0.097 | 0.788 |
Rmeas | 0.098 | 0.788 |
Rpim | 0.012 | 0.092 |
Number of reflections | 19159 | 770 |
<I/σ(I)> | 6 | |
Completeness [%] | 99.5 | 100 |
Redundancy | 10 | 7.78 |
CC(1/2) | 0.977 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.9 | 293 | 0.2 M Magnesium Formate pH 5.9, 20% (w/v) PEG 3350 |