2XFP
Isatin-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) | 1.0 |
Spacegroup name | C 2 2 2 |
Unit cell lengths | 131.080, 222.610, 86.400 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 27.880 - 1.660 |
R-factor | 0.162 |
Rwork | 0.161 |
R-free | 0.19200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1oja |
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 | 1.750 |
High resolution limit [Å] | 1.700 | 1.660 |
Rmerge | 0.090 | 0.440 |
Number of reflections | 141445 | |
<I/σ(I)> | 9.9 | 2.5 |
Completeness [%] | 96.2 | 97.9 |
Redundancy | 3.5 | 3.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6.5 | pH 6.5 |