2BYR
CRYSTAL STRUCTURE OF ACHBP FROM APLYSIA CALIFORNICA in complex with methyllycaconitine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-12-16 |
| Detector | ADSC CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 67.267, 135.776, 147.286 |
| Unit cell angles | 90.00, 99.46, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.450 |
| R-factor | 0.194 |
| Rwork | 0.193 |
| R-free | 0.23200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2byn |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.369 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 72.000 | 2.510 |
| High resolution limit [Å] | 2.450 | 2.450 |
| Rmerge | 0.080 | 0.480 |
| Number of reflections | 95739 | |
| <I/σ(I)> | 11.3 | 2.5 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 3.7 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 22% PEG 4K, 0.1 M TRIS, PH 7.5, 0.4 M MG2CL |
