6UHI
Closed-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 | 2017-02-07 |
| Detector | DECTRIS PILATUS3 X 6M |
| Wavelength(s) | 0.97927 |
| Spacegroup name | P 32 |
| Unit cell lengths | 51.913, 51.913, 85.174 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 44.960 - 2.880 |
| R-factor | 0.235 |
| Rwork | 0.227 |
| R-free | 0.27270 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4erv |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.537 |
| 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 | 2.930 |
| High resolution limit [Å] | 2.880 | 7.810 | 2.880 |
| Rmerge | 0.088 | 0.040 | 0.555 |
| Rmeas | 0.096 | 0.043 | 0.608 |
| Rpim | 0.036 | 0.016 | 0.242 |
| Total number of observations | 37471 | ||
| Number of reflections | 5563 | 264 | 205 |
| <I/σ(I)> | 7.8 | ||
| Completeness [%] | 95.3 | 88.3 | 74 |
| Redundancy | 6.7 | 6.9 | 4.8 |
| CC(1/2) | 0.993 | 0.964 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 297 | 0.1 M Sodium Citrate:citric Acid pH 5.5, 40% (v/v) PEG 600 |
