2WN9
Crystal structure of Aplysia ACHBP in complex with 4-0H-DMXBA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.2.2 |
| Synchrotron site | ALS |
| Beamline | 8.2.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-04-11 |
| Detector | ADSC CCD |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 86.909, 115.394, 130.607 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.750 |
| R-factor | 0.17131 |
| Rwork | 0.170 |
| R-free | 0.20308 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2byn |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.489 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 56.800 | 1.840 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.050 | 0.390 |
| Number of reflections | 132537 | |
| <I/σ(I)> | 20.7 | 4.5 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 6.5 | 6.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 26% PEG400, 0.1 M HEPES, PH 7.5, 0.2 M MGCL2 |
