2XZ6
MTSET-modified Y53C mutant of Aplysia AChBP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-1 |
| Synchrotron site | ESRF |
| Beamline | ID14-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC QUANTUM 210 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 144.824, 144.824, 274.588 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 95.950 - 3.137 |
| R-factor | 0.1886 |
| Rwork | 0.186 |
| R-free | 0.23630 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2uz6 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.069 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 100.000 | 3.320 |
| High resolution limit [Å] | 3.150 | 3.150 |
| Rmerge | 0.180 | 0.410 |
| Number of reflections | 50724 | |
| <I/σ(I)> | 4.1 | 1.9 |
| Completeness [%] | 98.3 | 98.9 |
| Redundancy | 5.3 | 5.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 150 MM KSCN, BISTRISPROPANE PH 8.5, 14% PEG 3350. |
