6OKZ
Structure of VcINDY bound to Fumarate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-06-20 |
| Detector | DECTRIS PILATUS3 X 6M |
| Wavelength(s) | 0.9794 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 105.795, 102.063, 171.173 |
| Unit cell angles | 90.00, 98.94, 90.00 |
Refinement procedure
| Resolution | 47.903 - 3.292 |
| R-factor | 0.2483 |
| Rwork | 0.247 |
| R-free | 0.28570 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5ul9 |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.454 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((1.15.1_3469: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.350 |
| High resolution limit [Å] | 3.290 | 3.290 |
| Number of reflections | 51510 | 1913 |
| <I/σ(I)> | 10.1 | |
| Completeness [%] | 93.9 | |
| Redundancy | 6.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 277.15 | 37.5% PEG 300, 100mM Sodium Acetate pH 4.6 |
