6UHS
Open-form Crystal Structure of Chimera Bt-hRyR_12 from Bacteroides thetaiotaomicron /human
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-11-30 |
| Detector | DECTRIS PILATUS3 X 6M |
| Wavelength(s) | 0.97927 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 49.816, 56.046, 89.041 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.470 - 2.460 |
| R-factor | 0.2304 |
| Rwork | 0.228 |
| R-free | 0.27650 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4erv |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.680 |
| Data reduction software | HKL-3000 |
| Data scaling software | SCALEPACK |
| Phasing software | HKL-3000 |
| Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.500 |
| High resolution limit [Å] | 2.460 | 6.670 | 2.460 |
| Rmerge | 0.119 | 0.090 | 0.575 |
| Rmeas | 0.137 | 0.104 | 0.688 |
| Rpim | 0.066 | 0.051 | 0.362 |
| Total number of observations | 36963 | ||
| Number of reflections | 9148 | 535 | 333 |
| <I/σ(I)> | 6.9 | ||
| Completeness [%] | 95.7 | 96.7 | 70 |
| Redundancy | 4 | 3.9 | 2.8 |
| CC(1/2) | 0.974 | 0.555 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 297 | 0.1 M Bis-Tris:HCl pH 5.5, 25% (w/v) PEG 3350 |
