5Q1P
PanDDA analysis group deposition -- Crystal Structure of DCLRE1A in complex with FMOPL000299a
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 | 2016-09-30 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.92 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 51.880, 57.070, 114.860 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.500 - 1.560 |
R-factor | 0.149 |
Rwork | 0.146 |
R-free | 0.19970 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 5aho |
RMSD bond length | 0.013 |
RMSD bond angle | 1.461 |
Data reduction software | XDS |
Data scaling software | Aimless (0.5.27) |
Phasing software | REFMAC |
Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 38.500 | 38.500 | 1.600 |
High resolution limit [Å] | 1.560 | 6.980 | 1.560 |
Rmerge | 0.088 | 0.043 | 1.555 |
Rmeas | 0.096 | 0.047 | 1.680 |
Rpim | 0.037 | 0.018 | 0.632 |
Total number of observations | 325612 | 3944 | 24414 |
Number of reflections | 49166 | ||
<I/σ(I)> | 12.1 | 41.1 | 1.3 |
Completeness [%] | 99.6 | 99 | 99.1 |
Redundancy | 6.6 | 6.2 | 6.9 |
CC(1/2) | 0.998 | 0.997 | 0.541 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6 | 298 | 30% PEG1000, 0.1 M MIB buffer |