1S2Q
Crystal structure of MAOB in complex with N-propargyl-1(R)-aminoindan (Rasagiline)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-2 |
| Synchrotron site | ESRF |
| Beamline | ID14-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2003-07-10 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.97 |
| Spacegroup name | C 2 2 2 |
| Unit cell lengths | 132.924, 224.330, 86.689 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 15.000 - 2.070 |
| R-factor | 0.20749 |
| Rwork | 0.207 |
| R-free | 0.23602 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.022 |
| Data reduction software | MOSFLM |
| Data scaling software | CCP4 ((SCALA)) |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 6.420 |
| High resolution limit [Å] | 2.070 | 2.070 |
| Number of reflections | 79614 | |
| Completeness [%] | 100.0 | 95.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 277 | PEG4000, lithium sulphate, ADA buffer, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
