4CMF
The (R)-selective transaminase from Nectria haematococca with inhibitor bound
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04-1 |
Synchrotron site | Diamond |
Beamline | I04-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | ADSC CCD |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 61.730, 100.340, 130.250 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.850 - 1.500 |
R-factor | 0.15413 |
Rwork | 0.153 |
R-free | 0.17984 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4cmd |
RMSD bond length | 0.011 |
RMSD bond angle | 1.435 |
Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 39.850 | 1.540 |
High resolution limit [Å] | 1.500 | 1.500 |
Rmerge | 0.100 | 1.030 |
Number of reflections | 64789 | |
<I/σ(I)> | 16 | 3.2 |
Completeness [%] | 99.9 | 99.9 |
Redundancy | 7.3 | 7.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 |