5Q9L
PanDDA analysis group deposition -- Crystal Structure of DCLRE1A after initial refinement with no ligand modelled (structure 267)
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 | 51.712, 56.899, 115.074 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 51.000 - 1.590 |
R-factor | 0.2001 |
Rwork | 0.198 |
R-free | 0.24140 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 5aho |
RMSD bond length | 0.021 |
RMSD bond angle | 1.886 |
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] | 51.000 | 51.000 | 1.630 |
High resolution limit [Å] | 1.590 | 7.110 | 1.590 |
Rmerge | 0.096 | 0.043 | 2.066 |
Rmeas | 0.105 | 0.047 | 2.242 |
Rpim | 0.041 | 0.018 | 0.864 |
Total number of observations | 295071 | 3739 | 22229 |
Number of reflections | 46545 | ||
<I/σ(I)> | 8.7 | 28.9 | 1.3 |
Completeness [%] | 100.0 | 99.9 | 100 |
Redundancy | 6.3 | 6.1 | 6.5 |
CC(1/2) | 0.998 | 0.998 | 0.508 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6 | 298 | 30% PEG 1000, 0.1M MIB buffer |