2XFO
tranylcypromine-inhibited human monoamine oxidase B Ile199Ala mutant in complex with 2-(2-benzofuranyl)-2-imidazoline
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF |
Synchrotron site | ESRF |
Beamline | ID14-4 |
Temperature [K] | 100 |
Spacegroup name | C 2 2 2 |
Unit cell lengths | 130.546, 221.863, 86.033 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 65.270 - 2.100 |
R-factor | 0.19 |
Rwork | 0.189 |
R-free | 0.24300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1OJB |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | REFMAC |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.210 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.020 | 0.581 |
Number of reflections | 69410 | |
<I/σ(I)> | 5.4 | 1.8 |
Completeness [%] | 95.5 | 97.6 |
Redundancy | 2.9 | 2.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6.5 | pH 6.5 |