7BSL
Crystal Structure of human ME2 R67A 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 | 118.199, 191.146, 59.091 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.220 - 2.550 |
| R-factor | 0.2518 |
| Rwork | 0.249 |
| R-free | 0.29740 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1efl |
| RMSD bond length | 0.002 |
| RMSD bond angle | 1.250 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 30.000 | 30.000 | 2.640 |
| High resolution limit [Å] | 2.550 | 5.480 | 2.550 |
| Rmerge | 0.057 | 0.032 | 0.329 |
| Rmeas | 0.065 | 0.036 | 0.388 |
| Rpim | 0.030 | 0.017 | 0.201 |
| Total number of observations | 200658 | ||
| Number of reflections | 43360 | 4708 | 3526 |
| <I/σ(I)> | 12.3 | ||
| Completeness [%] | 97.5 | 99.6 | 80.7 |
| Redundancy | 4.6 | 4.5 | 3.3 |
| CC(1/2) | 0.998 | 0.910 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | EVAPORATION | 6.5 | 293 | PEG20000 7% MPD(v/v) 5% MES |
