5U5U
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 | 2016-08-05 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1.1158 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 51.007, 74.920, 106.941 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 61.360 - 1.330 |
| R-factor | 0.173 |
| Rwork | 0.172 |
| R-free | 0.19230 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.162 |
| 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] | 61.360 | 50.970 | 1.330 |
| High resolution limit [Å] | 1.300 | 5.810 | 1.300 |
| Rmerge | 0.091 | 0.039 | 1.191 |
| Number of reflections | 93829 | ||
| <I/σ(I)> | 10.1 | ||
| Completeness [%] | 93.1 | 99.9 | 59.8 |
| Redundancy | 11.1 | 11.6 | 5.4 |
| CC(1/2) | 0.998 | 0.999 | 0.701 |
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 |
