5Q27
PanDDA analysis group deposition -- Crystal Structure of DCLRE1A in complex with FMOPL000421a
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 | 2017-04-12 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.92 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 51.967, 57.062, 115.221 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 51.970 - 1.830 |
R-factor | 0.1885 |
Rwork | 0.187 |
R-free | 0.22220 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 5aho |
RMSD bond length | 0.010 |
RMSD bond angle | 1.313 |
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] | 51.970 | 51.970 | 1.930 |
High resolution limit [Å] | 1.830 | 5.780 | 1.830 |
Rmerge | 0.103 | 0.042 | 0.806 |
Rmeas | 0.112 | 0.046 | 0.873 |
Rpim | 0.044 | 0.018 | 0.332 |
Total number of observations | 203617 | 6399 | 30613 |
Number of reflections | 31093 | ||
<I/σ(I)> | 12.1 | 32.4 | 2.3 |
Completeness [%] | 100.0 | 99.8 | 100 |
Redundancy | 6.5 | 5.8 | 6.8 |
CC(1/2) | 0.998 | 0.999 | 0.814 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6 | 298 | 30% PEG1000, 0.1 M MIB buffer |