5Q1W
PanDDA analysis group deposition -- Crystal Structure of DCLRE1A in complex with FMOPL000546a
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 | 2016-09-29 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.92 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 52.100, 57.130, 114.980 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 23.730 - 1.680 |
| R-factor | 0.1967 |
| Rwork | 0.195 |
| R-free | 0.22940 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 5aho |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.435 |
| 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] | 23.730 | 23.730 | 1.720 |
| High resolution limit [Å] | 1.680 | 7.510 | 1.680 |
| Rmerge | 0.109 | 0.041 | 1.501 |
| Rmeas | 0.118 | 0.045 | 1.629 |
| Rpim | 0.046 | 0.018 | 0.626 |
| Total number of observations | 262475 | 3188 | 19046 |
| Number of reflections | 39906 | ||
| <I/σ(I)> | 10.4 | 36.7 | 1.2 |
| Completeness [%] | 99.9 | 97.2 | 99.9 |
| Redundancy | 6.6 | 6.2 | 6.6 |
| CC(1/2) | 0.998 | 0.999 | 0.463 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 298 | 30% PEG1000, 0.1 M MIB buffer |
