5Q7K
PanDDA analysis group deposition -- Crystal Structure of DCLRE1A after initial refinement with no ligand modelled (structure 193)
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 | 2017-04-11 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.92 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 51.826, 58.022, 114.548 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 57.340 - 2.000 |
R-factor | 0.2381 |
Rwork | 0.236 |
R-free | 0.28120 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 5aho |
RMSD bond length | 0.019 |
RMSD bond angle | 1.889 |
Data reduction software | XDS |
Data scaling software | Aimless (0.5.31) |
Phasing software | REFMAC |
Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 57.340 | 57.990 | 1.560 |
High resolution limit [Å] | 1.520 | 6.800 | 1.520 |
Rmerge | 0.061 | 0.024 | 1.235 |
Rmeas | 0.067 | 0.026 | 1.341 |
Rpim | 0.026 | 0.010 | 0.516 |
Total number of observations | 338369 | 4335 | 24909 |
Number of reflections | 52960 | ||
<I/σ(I)> | 12.1 | 51.3 | 1.4 |
Completeness [%] | 98.4 | 99.9 | 97.1 |
Redundancy | 6.4 | 6.1 | 6.5 |
CC(1/2) | 0.999 | 0.998 | 0.773 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6 | 298 | 30% PEG 1000, 0.1M MIB buffer |