7U49
DFC-CTX-M-15
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.1 |
| Synchrotron site | ALS |
| Beamline | 5.0.1 |
| Temperature [K] | 80 |
| Detector technology | PIXEL |
| Collection date | 2020-12-18 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 170.955, 50.939, 106.597 |
| Unit cell angles | 90.00, 113.45, 90.00 |
Refinement procedure
| Resolution | 48.900 - 1.720 |
| R-factor | 0.2604 |
| Rwork | 0.258 |
| R-free | 0.32320 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4hbt |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.740 |
| High resolution limit [Å] | 1.710 | 4.640 | 1.710 |
| Rmerge | 0.179 | 0.074 | 1.662 |
| Rmeas | 0.195 | 0.081 | 2.226 |
| Rpim | 0.077 | 0.032 | 1.464 |
| Total number of observations | 356700 | ||
| Number of reflections | 63310 | 4731 | 256 |
| <I/σ(I)> | 2.7 | ||
| Completeness [%] | 69.7 | 100 | 5.7 |
| Redundancy | 5.6 | 6.6 | 1.5 |
| CC(1/2) | 0.995 | 0.286 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.8 | 293 | 300 mM Ammonium sulfate, 30% PEG 4000 |
