7BSK
Crystal structure of human ME2 R67Q mutant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE BL13C1 |
| Synchrotron site | NSRRC |
| Beamline | BL13C1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2018-01-06 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 117.848, 191.411, 58.909 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.480 - 2.550 |
| R-factor | 0.2287 |
| Rwork | 0.226 |
| R-free | 0.27780 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1efl |
| RMSD bond length | 0.004 |
| RMSD bond angle | 1.378 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | REFMAC (5.8.0253) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 30.000 | 30.000 | 2.630 |
| High resolution limit [Å] | 2.540 | 5.460 | 2.540 |
| Rmerge | 0.071 | 0.022 | 0.708 |
| Rmeas | 0.080 | 0.025 | 0.793 |
| Rpim | 0.036 | 0.012 | 0.353 |
| Total number of observations | 213224 | ||
| Number of reflections | 44503 | 4434 | 4392 |
| <I/σ(I)> | 10.1 | ||
| Completeness [%] | 99.0 | 92.7 | 99.5 |
| Redundancy | 4.8 | 4.3 | 4.9 |
| CC(1/2) | 0.999 | 0.834 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | EVAPORATION | 6.5 | 293 | PEG20000 6.575% MPD(v/v) 5% MES (pH=6.5) |
