1S3E
Crystal structure of MAOB in complex with 6-hydroxy-N-propargyl-1(R)-aminoindan
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06SA |
Synchrotron site | SLS |
Beamline | X06SA |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2003-05-03 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.95 |
Spacegroup name | C 2 2 2 |
Unit cell lengths | 131.958, 224.065, 86.632 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 15.000 - 1.600 |
R-factor | 0.19811 |
Rwork | 0.198 |
R-free | 0.21632 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 1.078 |
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 | 5.060 |
High resolution limit [Å] | 1.600 | 1.600 |
Number of reflections | 149238 | |
Completeness [%] | 90.0 | 90 |
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 |