2BK5
Human Monoamine Oxidase B: I199F mutant in complex with isatin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-1 |
Synchrotron site | ESRF |
Beamline | ID14-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | ADSC CCD |
Spacegroup name | C 2 2 2 |
Unit cell lengths | 130.843, 221.990, 86.072 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 15.000 - 1.830 |
R-factor | 0.186 |
Rwork | 0.185 |
R-free | 0.20600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1oj9 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.180 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | REFMAC |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 15.000 | 1.900 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.100 | 0.200 |
Number of reflections | 105716 | |
<I/σ(I)> | 15.5 | 4.1 |
Completeness [%] | 94.0 | 82.1 |
Redundancy | 5.7 | 4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6.2 | pH 6.2 |