2XZ5
MMTS-modified Y53C mutant of Aplysia AChBP in complex with acetylcholine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | MARMOSAIC 225 mm CCD |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 82.123, 119.405, 267.744 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.590 - 2.800 |
| R-factor | 0.1753 |
| Rwork | 0.173 |
| R-free | 0.21910 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2uz6 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.090 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | BUSTER (2.8.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.600 | 2.870 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.130 | 0.590 |
| Number of reflections | 31966 | |
| <I/σ(I)> | 11.8 | 1.9 |
| Completeness [%] | 92.0 | 77.5 |
| Redundancy | 5.9 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 200 MM NH4(H2PO4), 100 MM TRIS PH 8.5 AND 50% MPD. |
