5U5W
CcP gateless cavity
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.3.1 |
| Synchrotron site | ALS |
| Beamline | 8.3.1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-08-13 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1.1158 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 51.049, 75.022, 107.049 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 53.525 - 1.290 |
| R-factor | 0.1454 |
| Rwork | 0.144 |
| R-free | 0.17290 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.384 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.21) |
| Phasing software | PHASER (2.6.1) |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 53.525 | 53.520 | 1.320 |
| High resolution limit [Å] | 1.290 | 5.770 | 1.290 |
| Rmerge | 0.067 | 0.035 | 1.227 |
| Rmeas | 0.037 | 1.399 | |
| Rpim | 0.011 | 0.655 | |
| Total number of observations | 15591 | 21967 | |
| Number of reflections | 99888 | ||
| <I/σ(I)> | 15.1 | 48.4 | 1 |
| Completeness [%] | 96.1 | 99.9 | 69 |
| Redundancy | 10.9 | 11.8 | 4.3 |
| CC(1/2) | 0.997 | 0.989 | 0.531 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 283 | Compound soaked into crystal grown in equal volume of 500mM MES buffer (pH 6.0) and 25% MPD |
