7B7V
Structure of NUDT15 in complex with Acyclovir monophosphate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06SA |
Synchrotron site | SLS |
Beamline | X06SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-10-14 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.00002 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 46.643, 49.120, 135.220 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.090 - 1.600 |
R-factor | 0.1893 |
Rwork | 0.188 |
R-free | 0.20910 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5lpg |
RMSD bond length | 0.013 |
RMSD bond angle | 1.452 |
Data reduction software | DIALS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.090 | 1.630 |
High resolution limit [Å] | 1.600 | 1.600 |
Number of reflections | 41732 | 2014 |
<I/σ(I)> | 12.5 | |
Completeness [%] | 99.7 | |
Redundancy | 7 | |
CC(1/2) | 0.998 | 0.639 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 277 | 0.1M Tris pH 8.5, 0.2 M MgCl2, 34% PEG 4000 in a 1:2 ratio |