7NF1
Structure of T. atroviride variant TaFdcV in complex with prFMN-butynoic acid adduct
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-05-20 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9686 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 74.647, 74.647, 345.752 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 64.650 - 1.770 |
| R-factor | 0.17663 |
| Rwork | 0.175 |
| R-free | 0.20604 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6ev4 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.716 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 64.650 | 1.800 |
| High resolution limit [Å] | 1.770 | 1.770 |
| Number of reflections | 110826 | 5368 |
| <I/σ(I)> | 6.8 | 2.2 |
| Completeness [%] | 100.0 | 98.7 |
| Redundancy | 9.1 | |
| CC(1/2) | 0.900 | 0.500 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 277 | Potassium thiocyanate, sodium bromide, MES, PEG Smear High (BCS screen from Molecular Dimensions) |
