5UMX
Crystal structure of TnmS3 in complex with riboflavin
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 | 2016-03-05 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97926 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 45.059, 60.915, 85.659 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.000 - 1.590 |
| R-factor | 0.16618 |
| Rwork | 0.165 |
| R-free | 0.19328 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5ump |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.477 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | MOLREP (5.8.0155) |
| Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 1.630 |
| High resolution limit [Å] | 1.590 | 1.590 |
| Rmerge | 0.071 | 0.681 |
| Rmeas | 0.078 | 0.750 |
| Rpim | 0.031 | 0.310 |
| Number of reflections | 39567 | 30454 |
| <I/σ(I)> | 23.7 | |
| Completeness [%] | 99.2 | 99.9 |
| Redundancy | 5.7 | 5.6 |
| CC(1/2) | 0.996 | 0.837 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 298 | 100 mM ammonium acetate, 100 mM bis-tris, and 17% w/v polyethylene glycol 3350 |
