5UG2
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 | 51.309, 72.848, 104.410 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 59.744 - 1.340 |
| R-factor | 0.1552 |
| Rwork | 0.154 |
| R-free | 0.17430 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.067 |
| 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] | 59.744 | 59.740 | 1.370 |
| High resolution limit [Å] | 1.340 | 5.990 | 1.340 |
| Rmerge | 0.060 | 0.024 | 1.108 |
| Number of reflections | 87297 | ||
| <I/σ(I)> | 15.6 | ||
| Completeness [%] | 98.5 | 99.9 | 84.7 |
| Redundancy | 11.1 | 11.7 | 5.4 |
| CC(1/2) | 1.000 | 1.000 | 0.695 |
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 |
