5QON
PanDDA analysis group deposition -- Crystal Structure of DCP2 (NUDT20) in complex with FMOPL000446a
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04-1 |
Synchrotron site | Diamond |
Beamline | I04-1 |
Detector technology | PIXEL |
Collection date | 2016-12-15 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 0.92819 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 48.294, 61.259, 65.908 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.870 - 1.800 |
R-factor | 0.1976 |
Rwork | 0.195 |
R-free | 0.25210 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 5mp0 |
RMSD bond length | 0.020 |
RMSD bond angle | 1.996 |
Data reduction software | XDS |
Data scaling software | Aimless (0.5.29) |
Phasing software | REFMAC |
Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 29.020 | 29.020 | 1.850 |
High resolution limit [Å] | 1.800 | 8.040 | 1.800 |
Rmerge | 0.067 | 0.025 | 0.835 |
Rmeas | 0.073 | 0.027 | 0.908 |
Rpim | 0.028 | 0.011 | 0.352 |
Total number of observations | 121347 | 1455 | 8419 |
Number of reflections | 18410 | ||
<I/σ(I)> | 17.6 | 55.5 | 2.3 |
Completeness [%] | 98.4 | 97.1 | 95.7 |
Redundancy | 6.6 | 5.8 | 6.5 |
CC(1/2) | 0.999 | 1.000 | 0.811 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.5 | 277 | 0.1 M acetate, pH 4.5, 5-25% PEG3350 |