2WZY
Crystal structure of A-AChBP in complex with 13-desmethyl spirolide C
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 |
| Collection date | 2007-08-27 |
| Detector | ADSC CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 77.626, 131.748, 125.593 |
| Unit cell angles | 90.00, 90.42, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.510 |
| R-factor | 0.17701 |
| Rwork | 0.176 |
| R-free | 0.23665 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2byr |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.310 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.600 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.090 | 0.410 |
| Number of reflections | 85373 | |
| <I/σ(I)> | 8.3 | 1.9 |
| Completeness [%] | 98.8 | 94 |
| Redundancy | 3 | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 27-30% PEG-400, 0.1 M HEPES, PH 7.5-7.7, 0.2 M MGCL2 |
