6OL0
Structure of VcINDY bound to Malate
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 | 106.785, 102.353, 171.846 |
| Unit cell angles | 90.00, 97.79, 90.00 |
Refinement procedure
| Resolution | 49.010 - 3.502 |
| R-factor | 0.2618 |
| Rwork | 0.260 |
| R-free | 0.30890 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5ul9 |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.386 |
| 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 | 3.560 |
| High resolution limit [Å] | 3.500 | 3.500 |
| Number of reflections | 44866 | 2248 |
| <I/σ(I)> | 10.8 | |
| Completeness [%] | 96.4 | |
| Redundancy | 6.9 | |
| CC(1/2) | 0.997 | 0.604 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 277.15 | 25% PEG 400, 100mM Sodium Acetate pH 5.0 |
