2XCG
Tranylcypromine-inhibited human monoamine oxidase B in complex with 2- (2-benzofuranyl)-2-imidazoline
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-4 |
Synchrotron site | ESRF |
Beamline | ID14-4 |
Temperature [K] | 100 |
Wavelength(s) | 1 |
Spacegroup name | C 2 2 2 |
Unit cell lengths | 131.893, 223.706, 86.716 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.980 - 1.900 |
R-factor | 0.15601 |
Rwork | 0.155 |
R-free | 0.18941 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1OJB |
RMSD bond length | 0.020 |
RMSD bond angle | 1.495 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 50.000 |
High resolution limit [Å] | 1.900 |
Rmerge | 0.100 |
Number of reflections | 100933 |
Completeness [%] | 100.0 |
Redundancy | 6.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6.5 | PEG 4000 12%, LISO4 70MM, ADA 0.1M PH 6.5 |