6SLE
Structure of Reductive Aminase from Neosartorya fumigata in complex with NADP+
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 120 |
| Detector technology | PIXEL |
| Collection date | 2016-04-30 |
| Detector | DECTRIS EIGER2 X 16M |
| Wavelength(s) | 0.97631 |
| Spacegroup name | P 1 |
| Unit cell lengths | 66.387, 89.312, 97.932 |
| Unit cell angles | 105.56, 90.00, 93.99 |
Refinement procedure
| Resolution | 48.280 - 2.770 |
| R-factor | 0.2896 |
| Rwork | 0.286 |
| R-free | 0.35730 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6e0d |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.673 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0253) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.280 | 2.850 |
| High resolution limit [Å] | 2.770 | 2.770 |
| Rmerge | 0.140 | 0.900 |
| Rpim | 0.140 | 0.900 |
| Number of reflections | 53924 | 4393 |
| <I/σ(I)> | 5.2 | 1.3 |
| Completeness [%] | 98.1 | |
| Redundancy | 3.4 | |
| CC(1/2) | 0.990 | 0.560 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | 20% PEG 6000; 0.2 M CaCl2; 0.1M HEPES pH 7.0 |
